Molecule
ID:110476
General Information
Molecular Formula
C₁₀H₂₂O
Molecular Mass
158.28108
Exact Mass
158.16706532
Charge
0
InChI
InChI=1S/C10H22O/c1-4-9(5-2)7-8-10(11)6-3/h9-11H,4-8H2,1-3H3
InChIKey
JWZFCOOWAQHCBP-UHFFFAOYSA-N
Canonic Smiles
CCC(CCC(CC)CC)O
Isomeric Smiles
CCC(O)CCC(CC)CC
Calculated Properties
JChem
Acid pKa
18.192142
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3651445
LogD (pH = 7.4)
3.3651445
Log P
3.3651445
Molar Refractivity
49.4293
Polarizability
19.78336
Polar Surface Area
20.23
Rotatable Bonds
6
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
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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