Molecule
ID:85107
General Information
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-7(2,3)5-6(9)8-4/h5H2,1-4H3,(H,8,9)
InChIKey
NUJMTBRJXROCOI-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CC(C)(C)C
Isomeric Smiles
O=C(CC(C)(C)C)NC
Calculated Properties
JChem
Acid pKa
16.663086
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9255578
LogD (pH = 7.4)
0.92555845
Log P
0.92555845
Molar Refractivity
37.6142
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
No Data Available
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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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