EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8H6056DWN2
EPA CompTox	DTXSID00209859

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8H6056DWN2

EPA CompTox

DTXSID00209859


InChI Key	YUENFNPLGJCNRB-UHFFFAOYSA-N
Smiles	NC1=CC=CC2=CC=3C=CC=CC3C=C12
InChI	InChI=1/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2

InChI Key

YUENFNPLGJCNRB-UHFFFAOYSA-N

Smiles

NC1=CC=CC2=CC=3C=CC=CC3C=C12

InChI

InChI=1/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2

Property Name	Value
Molecular Formula	C14H11N
Molecular Weight	193.09
AlogP	3.58
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H11N

Molecular Weight

193.09

AlogP

3.58

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	610-49-1
NORMAN SUSDAT
FDA SRS	8H6056DWN2
PubChem	11885

Resources

Reference

CAS NUMBER

610-49-1

NORMAN SUSDAT

FDA SRS

8H6056DWN2

PubChem

11885

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-ANTHRYLAMINE

Structure

Physicochemical Descriptors

Cross References