Molecule

ID:3872

General Information
Structure
MolImage
Molecular Formula
CH₃NO₂
Molecular Mass
61.04002
Exact Mass
61.01637834
Charge
0
InChI
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
InChIKey
KXDHJXZQYSOELW-UHFFFAOYSA-N
Canonic Smiles
NC(=O)O
Isomeric Smiles
NC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.76
LogD (pH = 5.5)
-2.14
Log P
-0.56
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.92
Polar Surface Area
63.32
Polarizability
4.68
Molar Refractivity
11.32
LOG S
0.65
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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