EcoDrugPlus


Synonyms	Misonidazole NSC-261,037 NSC-261037 RO 07-0582 RO 7-0582 RO-07-0582 RO-7-0582 RO-70582
Status
Molecule Category	Free-form
UNII	8FE7LTN8XE
EPA CompTox	DTXSID80864420


InChI Key	OBBCSXFCDPPXOL-UHFFFAOYSA-N
Smiles	COCC(O)Cn1ccnc1[N+](=O)[O-]
InChI	InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3

Property Name	Value
Molecular Formula	C7H11N3O4
Molecular Weight	201.18
AlogP	-0.2
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	90.42
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	14.0

Resources	Reference
ChEMBL	CHEMBL42161
DrugBank	DB11716
FDA SRS	8FE7LTN8XE
PubChem	26105
SureChEMBL	SCHEMBL51943

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

MISONIDAZOLE

Structure

Physicochemical Descriptors

Related Entries

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