Molecule

ID:58131

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-6(2)3-7-4-8(10)9-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKey
GUGXRXLTTHFKHC-UHFFFAOYSA-N
Canonic Smiles
CC(CC1CNC(=O)C1)C
Isomeric Smiles
C1C(CC(=O)N1)CC(C)C
Calculated Properties
JChem
Acid pKa
15.113012
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9615199
LogD (pH = 7.4)
0.96151996
Log P
0.96151996
Molar Refractivity
40.4801
Polarizability
15.942945
Polar Surface Area
29.1
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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