Molecule

ID:68076

General Information
Structure
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-7(2)9-5-3-4-8(10)6-9/h7H,3-6H2,1-2H3
InChIKey
CYQIRCHOEWIART-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN(C1)C(C)C
Isomeric Smiles
N1(CC(=O)CCC1)C(C)C
Calculated Properties
JChem
Acid pKa
18.622784
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.28548983
LogD (pH = 7.4)
0.9080371
Log P
0.99816424
Molar Refractivity
41.6865
Polarizability
16.334124
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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