EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3R2HB96RZT
EPA CompTox	DTXSID70168929

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3R2HB96RZT

EPA CompTox

DTXSID70168929


InChI Key	BEQVQKJCLJBTKZ-UHFFFAOYSA-N
Smiles	OP(=O)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)

InChI Key

BEQVQKJCLJBTKZ-UHFFFAOYSA-N

Smiles

OP(=O)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)

Property Name	Value
Molecular Formula	C12H11O2P1
Molecular Weight	218.05
AlogP	1.91
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	37.3
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H11O2P1

Molecular Weight

218.05

AlogP

1.91

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

37.3

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	1707-03-5
NORMAN SUSDAT
FDA SRS	3R2HB96RZT
PubChem	15567
ChemSpider	14810.0

Resources

Reference

CAS NUMBER

1707-03-5

NORMAN SUSDAT

FDA SRS

3R2HB96RZT

PubChem

15567

ChemSpider

14810.0

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

PHOSPHINIC ACID, DIPHENYL-

Structure

Physicochemical Descriptors

Cross References