EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LOF2A7032C

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LOF2A7032C


InChI Key	IKQHXERIXMQWQK-LYTCUFGASA-N
Smiles	OCN1C(=O)CN(N=CC=Cc2oc(cc2)[N+]([O-])=O)C1=O
InChI	InChI=1S/C11H10N4O6/c16-7-13-9(17)6-14(11(13)18)12-5-1-2-8-3-4-10(21-8)15(19)20/h1-5,16H,6-7H2/b2-1+,12-5+

InChI Key

IKQHXERIXMQWQK-LYTCUFGASA-N

Smiles

OCN1C(=O)CN(N=CC=Cc2oc(cc2)[N+]([O-])=O)C1=O

InChI

InChI=1S/C11H10N4O6/c16-7-13-9(17)6-14(11(13)18)12-5-1-2-8-3-4-10(21-8)15(19)20/h1-5,16H,6-7H2/b2-1+,12-5+

Property Name	Value
Molecular Formula	C11H10N4O6
Molecular Weight	294.06
AlogP	0.4
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	129.49
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C11H10N4O6

Molecular Weight

294.06

AlogP

0.4

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

129.49

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	18857-59-5
NORMAN SUSDAT
FDA SRS	LOF2A7032C

Resources

Reference

CAS NUMBER

18857-59-5

NORMAN SUSDAT

FDA SRS

LOF2A7032C

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

NIFURMAZOLE

Structure

Physicochemical Descriptors

Cross References