Molecule

ID:103205

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3
InChIKey
YLGYACDQVQQZSW-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)N(C)C
Isomeric Smiles
CN(C)C(=O)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.17335626
LogD (pH = 7.4)
0.1733568
Log P
0.17335682
Molar Refractivity
28.907
Polarizability
10.906219
Polar Surface Area
20.31
Rotatable Bonds
1
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
References
Bioactivity
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