EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00189389

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00189389


InChI Key	BRVKYNOLBGVHFJ-UHFFFAOYSA-N
Smiles	Cc1c(cccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C25H22NP/c1-21-13-11-12-20-25(21)26-27(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20H,1H3

InChI Key

BRVKYNOLBGVHFJ-UHFFFAOYSA-N

Smiles

Cc1c(cccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H22NP/c1-21-13-11-12-20-25(21)26-27(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20H,1H3

Property Name	Value
Molecular Formula	C25H22N1P1
Molecular Weight	367.15
AlogP	5.8
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	12.36
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C25H22N1P1

Molecular Weight

367.15

AlogP

5.8

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

12.36

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	35843-74-4
NORMAN SUSDAT
PubChem	98672
ChemSpider	89113.0

Resources

Reference

CAS NUMBER

35843-74-4

NORMAN SUSDAT

PubChem

98672

ChemSpider

89113.0

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...

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Last update: Monday, 3 November 2025

2-METHYL-N-(TRIPHENYLPHOSPHORANYLIDENE)ANILINE

Structure

Physicochemical Descriptors

Cross References