EcoDrugPlus


Synonyms	5-azaorotic acid Allantoxanic acid Oteracil Oxonic acid
Status
Molecule Category	Free-form
UNII	5VT6420TIG
EPA CompTox	DTXSID9048358

Synonyms

5-azaorotic acid

Allantoxanic acid

Oteracil

Oxonic acid

Status

Molecule Category

Free-form

UNII

5VT6420TIG

EPA CompTox

DTXSID9048358


InChI Key	RYYCJUAHISIHTL-UHFFFAOYSA-N
Smiles	O=C(O)c1nc(=O)[nH]c(=O)[nH]1
InChI	InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)

InChI Key

RYYCJUAHISIHTL-UHFFFAOYSA-N

Smiles

O=C(O)c1nc(=O)[nH]c(=O)[nH]1

InChI

InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)

Property Name	Value
Molecular Formula	C4H3N3O4
Molecular Weight	157.09
AlogP	-1.84
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	115.91
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C4H3N3O4

Molecular Weight

157.09

AlogP

-1.84

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

115.91

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

11.0

Resources	Reference
ChEBI	30863
ChEMBL	CHEMBL181932
DrugBank	DB03209
DrugCentral	2002
FDA SRS	5VT6420TIG
PubChem	4604
SureChEMBL	SCHEMBL464773
ZINC	ZINC000013514753

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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

OTERACIL

Structure

Physicochemical Descriptors

Cross References