Molecule

ID:35922

General Information
Structure
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChIKey
NNZVKALEGZPYKL-UHFFFAOYSA-N
Canonic Smiles
CC(CN=C=O)C
Isomeric Smiles
C(=NCC(C)C)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2016836
LogD (pH = 7.4)
1.2016836
Log P
1.2016836
Molar Refractivity
27.0824
Polarizability
10.442083
Polar Surface Area
29.43
Rotatable Bonds
2
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
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References
Bioactivity
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