Molecule

ID:84870

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₆O
Molecular Mass
308.37254
Exact Mass
308.12011513
Charge
0
InChI
InChI=1S/C23H16O/c24-23(22-13-12-19-6-2-4-8-21(19)16-22)14-10-17-9-11-18-5-1-3-7-20(18)15-17/h1-16H
InChIKey
KVHPQSLLACRXKD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)cccc2)/C=C/c1ccc2c(c1)cccc2
Isomeric Smiles
O=C(c1ccc2ccccc2c1)/C=C/c1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
16.756989
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.869279
LogD (pH = 7.4)
5.869279
Log P
5.869279
Molar Refractivity
99.7774
Polarizability
40.678207
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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