Molecule

ID:82111

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO
Molecular Mass
71.0779
Exact Mass
71.03711379
Charge
0
InChI
InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
InChIKey
MNFORVFSTILPAW-UHFFFAOYSA-N
Canonic Smiles
C1CNC1=O
Isomeric Smiles
N1C(=O)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.87
LogD (pH = 5.5)
-0.87
Log P
-0.87
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.50
Polar Surface Area
29.10
Polarizability
7.00
Molar Refractivity
17.50
LOG S
0.46
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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