EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	TJR09610O7
EPA CompTox	DTXSID3063627

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

TJR09610O7

EPA CompTox

DTXSID3063627


InChI Key	DZHMRSPXDUUJER-UHFFFAOYSA-N
Smiles	NC(N)=O.OP(O)(O)=O
InChI	InChI=1S/CH4N2O.H3O4P/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)

InChI Key

DZHMRSPXDUUJER-UHFFFAOYSA-N

Smiles

NC(N)=O.OP(O)(O)=O

InChI

InChI=1S/CH4N2O.H3O4P/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)

Property Name	Value
Molecular Formula	CH7N2O5P
Molecular Weight	158.01
AlogP	-1.49
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	6.0
Polar Surface Area	147.86
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

CH7N2O5P

Molecular Weight

158.01

AlogP

-1.49

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

6.0

Polar Surface Area

147.86

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	4861-19-2
NORMAN SUSDAT
FDA SRS	TJR09610O7

Resources

Reference

CAS NUMBER

4861-19-2

NORMAN SUSDAT

FDA SRS

TJR09610O7

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

UREA PHOSPHATE

Structure

Physicochemical Descriptors

Cross References