EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3VZ3RBG4N9
EPA CompTox	DTXSID50178066

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3VZ3RBG4N9

EPA CompTox

DTXSID50178066


InChI Key	HDBWAWNLGGMZRQ-UHFFFAOYSA-N
Smiles	C=Cc1ccc(cc1)c1ccccc1
InChI	InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2

InChI Key

HDBWAWNLGGMZRQ-UHFFFAOYSA-N

Smiles

C=Cc1ccc(cc1)c1ccccc1

InChI

InChI=1S/C14H12/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h2-11H,1H2

Property Name	Value
Molecular Formula	C14H12
Molecular Weight	180.09
AlogP	4.0
Number of Rotational Bond	2.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C14H12

Molecular Weight

180.09

AlogP

4.0

Number of Rotational Bond

2.0

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	2350-89-2
NORMAN SUSDAT
FDA SRS	3VZ3RBG4N9
PubChem	16883
ChemSpider	15998.0

Resources

Reference

CAS NUMBER

2350-89-2

NORMAN SUSDAT

FDA SRS

3VZ3RBG4N9

PubChem

16883

ChemSpider

15998.0

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

P-VINYLBIPHENYL

Structure

Physicochemical Descriptors

Cross References