Molecule
ID:107460
General Information
Molecular Formula
C₁₁H₁₆O
Molecular Mass
164.24414
Exact Mass
164.12011513
Charge
0
InChI
InChI=1S/C11H16O/c1-3-4-5-10-8-11(12)7-6-9(10)2/h6-8,12H,3-5H2,1-2H3
InChIKey
OKLNGCVEHOKJIY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1CCCC)O
Isomeric Smiles
CCCCc1cc(O)ccc1C
Calculated Properties
JChem
Acid pKa
10.440223
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.0302243
LogD (pH = 7.4)
4.0298357
Log P
4.030229
Molar Refractivity
51.9243
Polarizability
20.007631
Polar Surface Area
20.23
Rotatable Bonds
3
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
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Molecule Details
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References
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Bioactivity
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