Molecule
ID:56078
General Information
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,13-14H,1-5H2
InChIKey
SNWSZCGYPHRJEY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1C1CCCCC1)O
Isomeric Smiles
c1c(c(cc(c1)O)C1CCCCC1)O
Calculated Properties
JChem
Acid pKa
9.906959
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4810874
LogD (pH = 7.4)
3.479762
Log P
3.4811044
Molar Refractivity
56.2114
Polarizability
21.77695
Polar Surface Area
40.46
Rotatable Bonds
1
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
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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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