EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID7020001

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID7020001


InChI Key	FJTNLJLPLJDTRM-UHFFFAOYSA-N
Smiles	c1ccc2c(c1)c1c([nH]2)nc(cc1)N
InChI	InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)

InChI Key

FJTNLJLPLJDTRM-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c1c([nH]2)nc(cc1)N

InChI

InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)

Property Name	Value
Molecular Formula	C11H9N3
Molecular Weight	183.08
AlogP	2.13
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	3.0
Polar Surface Area	55.43
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H9N3

Molecular Weight

183.08

AlogP

2.13

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

3.0

Polar Surface Area

55.43

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	26148-68-5
NORMAN SUSDAT
PubChem	62805
ChemSpider	56541.0

Resources

Reference

CAS NUMBER

26148-68-5

NORMAN SUSDAT

PubChem

62805

ChemSpider

56541.0

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-AMINO-ALPHA-CARBOLINE

Structure

Physicochemical Descriptors

Cross References