Molecule

ID:27593

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h5H,3H2,1-2H3
InChIKey
DUUSMHZSZWMNCB-UHFFFAOYSA-N
Canonic Smiles
CC(N=C=O)CC
Isomeric Smiles
C(=NC(CC)C)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2532859
LogD (pH = 7.4)
1.2532859
Log P
1.2532859
Molar Refractivity
27.0296
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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