EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MV3X1YC181
EPA CompTox	DTXSID60174610

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MV3X1YC181

EPA CompTox

DTXSID60174610


InChI Key	XQNXAFHTOWJFTR-UHFFFAOYSA-N
Smiles	c1cc2c(cc1)c1nccc3cccc2c13
InChI	InChI=1S/C15H9N/c1-2-6-13-11(5-1)12-7-3-4-10-8-9-16-15(13)14(10)12/h1-9H

InChI Key

XQNXAFHTOWJFTR-UHFFFAOYSA-N

Smiles

c1cc2c(cc1)c1nccc3cccc2c13

InChI

InChI=1S/C15H9N/c1-2-6-13-11(5-1)12-7-3-4-10-8-9-16-15(13)14(10)12/h1-9H

Property Name	Value
Molecular Formula	C15H9N1
Molecular Weight	203.07
AlogP	3.88
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H9N1

Molecular Weight

203.07

AlogP

3.88

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	206-56-4
NORMAN SUSDAT
FDA SRS	MV3X1YC181
PubChem	9157
ChemSpider	8803.0

Resources

Reference

CAS NUMBER

206-56-4

NORMAN SUSDAT

FDA SRS

MV3X1YC181

PubChem

9157

ChemSpider

8803.0

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

1-AZAFLUORANTHENE

Structure

Physicochemical Descriptors

Cross References