EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	83X2F64GP4
EPA CompTox	DTXSID00180593

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

83X2F64GP4

EPA CompTox

DTXSID00180593


InChI Key	FXGBAEGZOCVPCU-UHFFFAOYSA-N
Smiles	C(c1ccccc1)c1cc(Cc2ccccc2)ncc1
InChI	InChI=1S/C19H17N/c1-3-7-16(8-4-1)13-18-11-12-20-19(15-18)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2

InChI Key

FXGBAEGZOCVPCU-UHFFFAOYSA-N

Smiles

C(c1ccccc1)c1cc(Cc2ccccc2)ncc1

InChI

InChI=1S/C19H17N/c1-3-7-16(8-4-1)13-18-11-12-20-19(15-18)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2

Property Name	Value
Molecular Formula	C19H17N1
Molecular Weight	259.14
AlogP	4.26
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	12.89
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C19H17N1

Molecular Weight

259.14

AlogP

4.26

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

12.89

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	25920-18-7
NORMAN SUSDAT
FDA SRS	83X2F64GP4
PubChem	96510
ChemSpider	87127.0

Resources

Reference

CAS NUMBER

25920-18-7

NORMAN SUSDAT

FDA SRS

83X2F64GP4

PubChem

96510

ChemSpider

87127.0

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

2,4-BIS(BENZYL)PYRIDINE

Structure

Physicochemical Descriptors

Cross References