EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Y2PWX6LSYZ

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Y2PWX6LSYZ


InChI Key	VXGOQVMIGNMUGC-UHFFFAOYSA-N
Smiles	N=1C=2C=CC=CC2C=C3C1C=CC=C3C
InChI	InChI=1/C14H11N/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14/h2-9H,1H3

InChI Key

VXGOQVMIGNMUGC-UHFFFAOYSA-N

Smiles

N=1C=2C=CC=CC2C=C3C1C=CC=C3C

InChI

InChI=1/C14H11N/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14/h2-9H,1H3

Property Name	Value
Molecular Formula	C14H11N
Molecular Weight	193.09
AlogP	3.7
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H11N

Molecular Weight

193.09

AlogP

3.7

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	54116-90-4
NORMAN SUSDAT
FDA SRS	Y2PWX6LSYZ
PubChem	89973

Resources

Reference

CAS NUMBER

54116-90-4

NORMAN SUSDAT

FDA SRS

Y2PWX6LSYZ

PubChem

89973

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-METHYLACRIDINE

Structure

Physicochemical Descriptors

Cross References