Molecule

ID:66798

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)
InChIKey
WZEMYWNHKFIVKE-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CC1)NC(=O)C
Isomeric Smiles
C(=O)(C)NC1CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
15.769596
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18655954
LogD (pH = 7.4)
-0.18655945
Log P
-0.18655945
Molar Refractivity
41.0182
Polarizability
16.041395
Polar Surface Area
46.17
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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