EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	47HY68GZ7Q
EPA CompTox	DTXSID9060655

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

47HY68GZ7Q

EPA CompTox

DTXSID9060655


InChI Key	VQZRLBWPEHFGCD-UHFFFAOYSA-N
Smiles	Cc1ccc(O)cc1Cl
InChI	InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

InChI Key

VQZRLBWPEHFGCD-UHFFFAOYSA-N

Smiles

Cc1ccc(O)cc1Cl

InChI

InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

Property Name	Value
Molecular Formula	C7H7Cl1O1
Molecular Weight	142.02
AlogP	2.35
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H7Cl1O1

Molecular Weight

142.02

AlogP

2.35

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	615-62-3
NORMAN SUSDAT
FDA SRS	47HY68GZ7Q
PubChem	14853
ChemSpider	14163.0

Resources

Reference

CAS NUMBER

615-62-3

NORMAN SUSDAT

FDA SRS

47HY68GZ7Q

PubChem

14853

ChemSpider

14163.0

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

PHENOL, 3-CHLORO-4-METHYL-

Structure

Physicochemical Descriptors

Cross References