EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Human Neurotoxin ; Plastic additives ; Food Contact Chemicals ; Surfactants
Molecule Category	Free-form
UNII	6DC9Q167V3
EPA CompTox	DTXSID0021206

Keyword(s):

Indoor Environment Substances ; Human Neurotoxin ; Plastic additives ; Food Contact Chemicals ; Surfactants

Molecule Category

Free-form

UNII

6DC9Q167V3

EPA CompTox

DTXSID0021206


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


InChI Key	DNIAPMSPPWPWGF-UHFFFAOYSA-N
Smiles	CC(O)CO
InChI	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

InChI Key

DNIAPMSPPWPWGF-UHFFFAOYSA-N

Smiles

CC(O)CO

InChI

InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

Property Name	Value
Molecular Formula	C3H8O2
Molecular Weight	76.05
AlogP	-0.64
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	40.46
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C3H8O2

Molecular Weight

76.05

AlogP

-0.64

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

40.46

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	57-55-6
NORMAN SUSDAT
FDA SRS	6DC9Q167V3
PubChem	1030
ChemSpider	13835224.0

Resources

Reference

CAS NUMBER

57-55-6

NORMAN SUSDAT

FDA SRS

6DC9Q167V3

PubChem

1030

ChemSpider

13835224.0


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).

1,2-PROPYLENE GLYCOL

Structure

Physicochemical Descriptors

Cross References