Molecule
ID:82050
General Information
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-5(2)7(9)8-6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKey
IGZDXYHMGWRJAZ-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)C(C)C)C
Isomeric Smiles
N(C(=O)C(C)C)C(C)C
Calculated Properties
JChem
Acid pKa
16.403221
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2102921
LogD (pH = 7.4)
1.2102928
Log P
1.2102928
Molar Refractivity
37.7314
Polarizability
14.829458
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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