EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	6AXS4N2M6Q
EPA CompTox	DTXSID90208518

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

6AXS4N2M6Q

EPA CompTox

DTXSID90208518


InChI Key	SYKJOJSYQSVNOM-UHFFFAOYSA-N
Smiles	Cl.NC1C=2C=CC=CC2C=3C=CC=CC31
InChI	InChI=1/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H

InChI Key

SYKJOJSYQSVNOM-UHFFFAOYSA-N

Smiles

Cl.NC1C=2C=CC=CC2C=3C=CC=CC31

InChI

InChI=1/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H

Property Name	Value
Molecular Formula	C13H11N
Molecular Weight	217.07
AlogP	3.14
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C13H11N

Molecular Weight

217.07

AlogP

3.14

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5978-75-6
NORMAN SUSDAT
FDA SRS	6AXS4N2M6Q
PubChem	10671

Resources

Reference

CAS NUMBER

5978-75-6

NORMAN SUSDAT

FDA SRS

6AXS4N2M6Q

PubChem

10671

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-FLUOREN-9-AMINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References