EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5TH63M8SLV
EPA CompTox	DTXSID4066179

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5TH63M8SLV

EPA CompTox

DTXSID4066179


InChI Key	UYRPRYSDOVYCOU-UHFFFAOYSA-N
Smiles	OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChI	InChI=1S/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)

InChI Key

UYRPRYSDOVYCOU-UHFFFAOYSA-N

Smiles

OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1

InChI

InChI=1S/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)

Property Name	Value
Molecular Formula	C19H15O2P1
Molecular Weight	306.08
AlogP	3.14
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	37.3
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H15O2P1

Molecular Weight

306.08

AlogP

3.14

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

37.3

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	17261-28-8
NORMAN SUSDAT
FDA SRS	5TH63M8SLV
PubChem	87021
ChemSpider	78496.0

Resources

Reference

CAS NUMBER

17261-28-8

NORMAN SUSDAT

FDA SRS

5TH63M8SLV

PubChem

87021

ChemSpider

78496.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BENZOIC ACID, 2-(DIPHENYLPHOSPHINO)-

Structure

Physicochemical Descriptors

Cross References