Molecule

ID:84871

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₆O
Molecular Mass
308.37254
Exact Mass
308.12011513
Charge
0
InChI
InChI=1S/C23H16O/c24-23(22-14-6-11-18-8-2-4-13-21(18)22)16-15-19-10-5-9-17-7-1-3-12-20(17)19/h1-16H
InChIKey
WXTUPKOMTOZRJM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc2c1cccc2)/C=C/c1cccc2c1cccc2
Isomeric Smiles
O=C(c1cccc2ccccc12)/C=C/c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
16.4605
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
40.68239
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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