EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QI287G628L
EPA CompTox	DTXSID6041890

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QI287G628L

EPA CompTox

DTXSID6041890


InChI Key	PBNSPNYJYOYWTA-UHFFFAOYSA-N
Smiles	Cl[As]1c2ccccc2Nc3ccccc13
InChI	InChI=1/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H

InChI Key

PBNSPNYJYOYWTA-UHFFFAOYSA-N

Smiles

Cl[As]1c2ccccc2Nc3ccccc13

InChI

InChI=1/C12H9AsClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,15H

Property Name	Value
Molecular Formula	C12H9AsClN
Molecular Weight	276.96
AlogP	2.09
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.03
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H9AsClN

Molecular Weight

276.96

AlogP

2.09

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.03

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	578-94-9
NORMAN SUSDAT
FDA SRS	QI287G628L

Resources

Reference

CAS NUMBER

578-94-9

NORMAN SUSDAT

FDA SRS

QI287G628L

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

10-CHLORO-5,10-DIHYDROPHENARSAZINE

Structure

Physicochemical Descriptors

Cross References