Molecule

ID:69443

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKey
VPSSPAXIFBTOHY-ZCFIWIBFSA-N
Canonic Smiles
OC[C@@H](CC(C)C)N
Isomeric Smiles
C([C@H](N)CC(C)C)O
Calculated Properties
JChem
Acid pKa
15.12735
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6564274
LogD (pH = 7.4)
-1.9765102
Log P
0.3551243
Molar Refractivity
34.3035
Polarizability
13.926987
Polar Surface Area
46.25
Rotatable Bonds
3
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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