Molecule

ID:118466

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO
Molecular Mass
71.0779
Exact Mass
71.03711379
Charge
0
InChI
InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3
InChIKey
WUDNUHPRLBTKOJ-UHFFFAOYSA-N
Canonic Smiles
CCN=C=O
Isomeric Smiles
C(=NCC)=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.31
LogD (pH = 5.5)
0.31
Log P
0.31
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-4.74
Polar Surface Area
29.43
Polarizability
7.06
Molar Refractivity
18.09
LOG S
-0.17
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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