Molecule

ID:128625

General Information
Structure
MolImage
Molecular Formula
CH₃NO₂
Molecular Mass
61.04002
Exact Mass
61.01637834
Charge
0
InChI
InChI=1S/CH3NO2/c1-2(3)4/h1H3
InChIKey
LYGJENNIWJXYER-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)C
Isomeric Smiles
C[N+](=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
0.02
LogD (pH = 5.5)
0.03
Log P
0.03
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.14
Polar Surface Area
43.14
Polarizability
4.70
Molar Refractivity
11.58
LOG S
0.04
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation