Molecule

ID:111973

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-3-4-8(2)5-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)
InChIKey
VXXGMHKGORIRTK-UHFFFAOYSA-N
Canonic Smiles
CC1(CCC)CC(=O)NC1=O
Isomeric Smiles
CCCC1(C)CC(=O)NC1=O
Calculated Properties
JChem
Acid pKa
10.726865
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9946638
LogD (pH = 7.4)
0.9944641
Log P
0.99466634
Molar Refractivity
40.5589
Polarizability
16.041395
Polar Surface Area
46.17
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
References
Bioactivity
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