EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	75M88J863E
EPA CompTox	DTXSID6044981

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

75M88J863E

EPA CompTox

DTXSID6044981


InChI Key	CMPQUABWPXYYSH-UHFFFAOYSA-N
Smiles	OP(O)(=O)Oc1ccccc1
InChI	InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

InChI Key

CMPQUABWPXYYSH-UHFFFAOYSA-N

Smiles

OP(O)(=O)Oc1ccccc1

InChI

InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

Property Name	Value
Molecular Formula	C6H7O4P1
Molecular Weight	174.01
AlogP	1.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	66.76
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H7O4P1

Molecular Weight

174.01

AlogP

1.16

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

66.76

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	701-64-4
NORMAN SUSDAT
FDA SRS	75M88J863E
PubChem	12793
ChemSpider	12267.0

Resources

Reference

CAS NUMBER

701-64-4

NORMAN SUSDAT

FDA SRS

75M88J863E

PubChem

12793

ChemSpider

12267.0

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

PHENYL DIHYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References