EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XA92RV859Q
EPA CompTox	DTXSID60177646

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XA92RV859Q

EPA CompTox

DTXSID60177646


InChI Key	HQOBDLCAOWRBOU-UHFFFAOYSA-N
Smiles	OC(=O)c1c2[nH]c3c(cccc3)c2ccc1O
InChI	InChI=1S/C13H9NO3/c15-10-6-5-8-7-3-1-2-4-9(7)14-12(8)11(10)13(16)17/h1-6,14-15H,(H,16,17)

InChI Key

HQOBDLCAOWRBOU-UHFFFAOYSA-N

Smiles

OC(=O)c1c2[nH]c3c(cccc3)c2ccc1O

InChI

InChI=1S/C13H9NO3/c15-10-6-5-8-7-3-1-2-4-9(7)14-12(8)11(10)13(16)17/h1-6,14-15H,(H,16,17)

Property Name	Value
Molecular Formula	C13H9N1O3
Molecular Weight	227.06
AlogP	2.72
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	73.32
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H9N1O3

Molecular Weight

227.06

AlogP

2.72

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

73.32

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	23077-32-9
NORMAN SUSDAT
FDA SRS	XA92RV859Q
PubChem	89992
ChemSpider	81239.0

Resources

Reference

CAS NUMBER

23077-32-9

NORMAN SUSDAT

FDA SRS

XA92RV859Q

PubChem

89992

ChemSpider

81239.0

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

2-HYDROXY-9H-CARBAZOLE-1-CARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References