EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FVL27C1DMG

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FVL27C1DMG


InChI Key	AZFZKANGXPSDEA-NVNXTCNLSA-N
Smiles	CNC/C=C(/C1=CC=C(C=C1)Br)C2=CN=CC=C2
InChI	InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8-

InChI Key

AZFZKANGXPSDEA-NVNXTCNLSA-N

Smiles

CNC/C=C(/C1=CC=C(C=C1)Br)C2=CN=CC=C2

InChI

InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8-

Property Name	Value
Molecular Formula	C15H15BrN2
Molecular Weight	302.04
AlogP	3.5
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	24.92
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H15BrN2

Molecular Weight

302.04

AlogP

3.5

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

24.92

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	60324-59-6
NORMAN SUSDAT
FDA SRS	FVL27C1DMG
PubChem	5378630
ChemSpider	4527412.0

Resources

Reference

CAS NUMBER

60324-59-6

NORMAN SUSDAT

FDA SRS

FVL27C1DMG

PubChem

5378630

ChemSpider

4527412.0

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

NOMELIDINE

Structure

Physicochemical Descriptors

Cross References