EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3FA5LMV3IK
EPA CompTox	DTXSID20178816

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3FA5LMV3IK

EPA CompTox

DTXSID20178816


InChI Key	LRQYFGXOJXXKGQ-UHFFFAOYSA-N
Smiles	OCN1C=2C=CC=CC2C=3C=CC=CC31
InChI	InChI=1/C13H11NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,15H,9H2

InChI Key

LRQYFGXOJXXKGQ-UHFFFAOYSA-N

Smiles

OCN1C=2C=CC=CC2C=3C=CC=CC31

InChI

InChI=1/C13H11NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,15H,9H2

Property Name	Value
Molecular Formula	C13H11NO
Molecular Weight	197.08
AlogP	2.74
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	25.16
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C13H11NO

Molecular Weight

197.08

AlogP

2.74

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

25.16

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	2409-36-1
NORMAN SUSDAT
FDA SRS	3FA5LMV3IK
PubChem	75480

Resources

Reference

CAS NUMBER

2409-36-1

NORMAN SUSDAT

FDA SRS

3FA5LMV3IK

PubChem

75480

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

9H-CARBAZOLE-9-METHANOL

Structure

Physicochemical Descriptors

Cross References