Molecule

ID:433

General Information
Structure
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Molecular Formula
C₂H₅NO₂
Molecular Mass
75.0666
Exact Mass
75.03202841
Charge
0
InChI
InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
InChIKey
RRUDCFGSUDOHDG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NO
Isomeric Smiles
ONC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.05
LogD (pH = 5.5)
-1.03
Log P
-1.03
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.94
Polar Surface Area
49.33
Polarizability
6.60
Molar Refractivity
16.23
LOG S
0.72
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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