EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TL77X5FD9V
EPA CompTox	DTXSID70162684

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TL77X5FD9V

EPA CompTox

DTXSID70162684


InChI Key	BLRYHCTZTSRBNB-UHFFFAOYSA-N
Smiles	Cc1ccc(cc1)c1cccc(n1)c1ccc(C)cc1
InChI	InChI=1S/C19H17N/c1-14-6-10-16(11-7-14)18-4-3-5-19(20-18)17-12-8-15(2)9-13-17/h3-13H,1-2H3

InChI Key

BLRYHCTZTSRBNB-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c1cccc(n1)c1ccc(C)cc1

InChI

InChI=1S/C19H17N/c1-14-6-10-16(11-7-14)18-4-3-5-19(20-18)17-12-8-15(2)9-13-17/h3-13H,1-2H3

Property Name	Value
Molecular Formula	C19H17N1
Molecular Weight	259.14
AlogP	5.03
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	12.89
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C19H17N1

Molecular Weight

259.14

AlogP

5.03

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

12.89

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	14435-88-2
NORMAN SUSDAT
FDA SRS	TL77X5FD9V
PubChem	84435
ChemSpider	76166.0

Resources

Reference

CAS NUMBER

14435-88-2

NORMAN SUSDAT

FDA SRS

TL77X5FD9V

PubChem

84435

ChemSpider

76166.0

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

2,6-BIS(P-TOLYL)PYRIDINE

Structure

Physicochemical Descriptors

Cross References