Molecule

ID:58138

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-6(2)8(3)4-7(10)9-5-8/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
GFEZYKGTSSAURX-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(C1)(C)C(C)C
Isomeric Smiles
C1C(CC(=O)N1)(C)C(C)C
Calculated Properties
JChem
Acid pKa
15.09789
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8949514
LogD (pH = 7.4)
0.8949521
Log P
0.8949521
Molar Refractivity
40.2772
Polarizability
15.942945
Polar Surface Area
29.1
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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