Molecule

ID:135435

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO
Molecular Mass
71.0779
Exact Mass
71.03711379
Charge
0
InChI
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
InChIKey
HRPVXLWXLXDGHG-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C=C
Isomeric Smiles
C=CC(=O)N
Calculated Properties
JChem
Acid pKa
16.699757
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.27400455
LogD (pH = 7.4)
-0.27399543
Log P
-0.2739953
Molar Refractivity
19.1136
Polarizability
7.2341156
Polar Surface Area
43.09
Rotatable Bonds
1
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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