Molecule

ID:136111

General Information
Structure
Molecular Formula
C₇H₁₆O₂
Molecular Mass
135.17870451
Exact Mass
135.12509427
Charge
0
InChI
InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2/i1+1,4+1,5+1
InChIKey
SXCBDZAEHILGLM-GEWHOUHMSA-N
Canonic Smiles
OC[13CH2]C[13CH2]C[13CH2]CO
Isomeric Smiles
C([13CH2]C[13CH2]CO)[13CH2]CO
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7023493
LogD (pH = 7.4)
0.7023493
Log P
0.7023493
Molar Refractivity
37.8666
Polarizability
14.86285
Polar Surface Area
40.46
Rotatable Bonds
6
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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