General
Preferred name
PD055434
Synonyms
2-Methyl-4-nitroimidazole ()
P&D ID
PD055434
CAS
100215-29-0
696-23-1
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION 2-Methyl-4-nitroimidazole (2-MNI) is a heterocyclic compound with antimicrobial, anti-inflammatory, and antitumor activities.2-MNI has been used in a variety of fields including biochemistry, pharmacology, and biotechnology.
Compound Sets
1
Other bioactive compounds
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
127.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.63
TPSA
71.82
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
5.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data