Molecule

ID:128008

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO
Molecular Mass
71.0779
Exact Mass
71.03711379
Charge
0
InChI
InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
InChIKey
WOFDVDFSGLBFAC-UHFFFAOYSA-N
Canonic Smiles
CC(C#N)O
Isomeric Smiles
N#CC(C)O
Calculated Properties
JChem
Acid pKa
12.885647
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41388068
LogD (pH = 7.4)
-0.41388208
Log P
-0.41388065
Molar Refractivity
17.8191
Polarizability
6.7570677
Polar Surface Area
44.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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