Molecule

ID:89156

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO
Molecular Mass
97.11518
Exact Mass
97.05276385
Charge
0
InChI
InChI=1S/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3
InChIKey
HUPVIAINOSTNBJ-UHFFFAOYSA-N
Canonic Smiles
CCO/C=C/C#N
Isomeric Smiles
N#C/C=C/OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6367857
LogD (pH = 7.4)
0.6367857
Log P
0.6367857
Molar Refractivity
27.7482
Polarizability
10.236869
Polar Surface Area
33.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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