Molecule

ID:135383

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O
Molecular Mass
93.11145419
Exact Mass
93.10558919
Charge
0
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3/i1+1,2+1,3+1,4+1,5+1
InChIKey
BZLVMXJERCGZMT-CVMUNTFWSA-N
Canonic Smiles
[13CH3]O[13C]([13CH3])([13CH3])[13CH3]
Isomeric Smiles
[13CH3][13C]([13CH3])([13CH3])O[13CH3]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1785091
LogD (pH = 7.4)
1.1785091
Log P
1.1785091
Molar Refractivity
26.8181
Polarizability
10.631582
Polar Surface Area
9.23
Rotatable Bonds
1
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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