Molecule
ID:87197
General Information
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h4-5,8-11H,1-3,6-7H2
InChIKey
LBXMBBATNWKPGI-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=CC(=O)c2c1cccc2)C1CCCCC1
Isomeric Smiles
O=C1C(=CC(=O)c2ccccc12)C1CCCCC1
Calculated Properties
JChem
Acid pKa
12.569566
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4914362
LogD (pH = 7.4)
3.4914336
Log P
3.4914362
Molar Refractivity
71.6907
Polarizability
27.151522
Polar Surface Area
34.14
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
No Data Available
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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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