EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z6LRK9B6VM
EPA CompTox	DTXSID401301247

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z6LRK9B6VM

EPA CompTox

DTXSID401301247


InChI Key	FRWYZVRPWFWYFU-UHFFFAOYSA-N
Smiles	ClC=1N=NC(=CC1)C2=CC=CC=C2O
InChI	InChI=1/C10H7ClN2O/c11-10-6-5-8(12-13-10)7-3-1-2-4-9(7)14/h1-6,14H

InChI Key

FRWYZVRPWFWYFU-UHFFFAOYSA-N

Smiles

ClC=1N=NC(=CC1)C2=CC=CC=C2O

InChI

InChI=1/C10H7ClN2O/c11-10-6-5-8(12-13-10)7-3-1-2-4-9(7)14/h1-6,14H

Property Name	Value
Molecular Formula	C10H7ClN2O
Molecular Weight	206.02
AlogP	2.5
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	46.01
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H7ClN2O

Molecular Weight

206.02

AlogP

2.5

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

46.01

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	77585-94-5
NORMAN SUSDAT
FDA SRS	Z6LRK9B6VM
PubChem	3018733

Resources

Reference

CAS NUMBER

77585-94-5

NORMAN SUSDAT

FDA SRS

Z6LRK9B6VM

PubChem

3018733

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...

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Last update: Monday, 3 November 2025

2-(6-CHLOROPYRIDAZIN-3-YL)PHENOL

Structure

Physicochemical Descriptors

Cross References