EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZAL7U4A7S8
EPA CompTox	DTXSID9063871

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZAL7U4A7S8

EPA CompTox

DTXSID9063871


InChI Key	MZZQBSHNCYWSTL-UHFFFAOYSA-N
Smiles	Nc1cccc(c1)P(=O)(O)O
InChI	InChI=1S/C6H8NO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

InChI Key

MZZQBSHNCYWSTL-UHFFFAOYSA-N

Smiles

Nc1cccc(c1)P(=O)(O)O

InChI

InChI=1S/C6H8NO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

Property Name	Value
Molecular Formula	C6H8N1O3P1
Molecular Weight	173.02
AlogP	0.07
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	83.55
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H8N1O3P1

Molecular Weight

173.02

AlogP

0.07

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

83.55

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	5427-30-5
NORMAN SUSDAT
FDA SRS	ZAL7U4A7S8
PubChem	79477
ChemSpider	71790.0

Resources

Reference

CAS NUMBER

5427-30-5

NORMAN SUSDAT

FDA SRS

ZAL7U4A7S8

PubChem

79477

ChemSpider

71790.0

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

PHOSPHONIC ACID, (3-AMINOPHENYL)-

Structure

Physicochemical Descriptors

Cross References