Molecule

ID:110940

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3
InChIKey
OSLAYKKXCYSJSF-UHFFFAOYSA-N
Canonic Smiles
C/C(=C/C(=O)C)/N
Isomeric Smiles
C/C(=C/C(=O)C)/N
Calculated Properties
JChem
Acid pKa
19.362047
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5209024
LogD (pH = 7.4)
-0.29644686
Log P
-0.2926812
Molar Refractivity
30.2968
Polarizability
10.906219
Polar Surface Area
43.09
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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