Molecule

ID:107521

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O
Molecular Mass
116.20134
Exact Mass
116.12011513
Charge
0
InChI
InChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3
InChIKey
FMLSQAUAAGVTJO-UHFFFAOYSA-N
Canonic Smiles
CC(CC(O)(C)C)C
Isomeric Smiles
CC(C)CC(C)(C)O
Calculated Properties
JChem
Acid pKa
18.851866
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7894926
LogD (pH = 7.4)
1.7894927
Log P
1.7894927
Molar Refractivity
35.7405
Polarizability
14.24668
Polar Surface Area
20.23
Rotatable Bonds
2
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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