EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	2L9GJK6MGN
EPA CompTox	DTXSID4020161

Keyword(s):

Indoor Environment Substances ; Food Contact Chemicals ; Drinking Water Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

2L9GJK6MGN

EPA CompTox

DTXSID4020161


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	ZUOUZKKEUPVFJK-UHFFFAOYSA-N
Smiles	c1ccc(cc1)-c1ccccc1
InChI	InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

InChI Key

ZUOUZKKEUPVFJK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)-c1ccccc1

InChI

InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

Property Name	Value
Molecular Formula	C12H10
Molecular Weight	154.08
AlogP	3.35
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	1.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	2.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C12H10

Molecular Weight

154.08

AlogP

3.35

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

1.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

2.0

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	92-52-4
NORMAN SUSDAT
FDA SRS	2L9GJK6MGN
PubChem	7095
ChemSpider	6828.0

Resources

Reference

CAS NUMBER

92-52-4

NORMAN SUSDAT

FDA SRS

2L9GJK6MGN

PubChem

7095

ChemSpider

6828.0


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

BIPHENYL

Structure

Physicochemical Descriptors

Cross References