Molecule

ID:78686

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂O₂
Molecular Mass
248.27598
Exact Mass
248.08372962
Charge
0
InChI
InChI=1S/C17H12O2/c18-17(11-10-14-7-4-12-19-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H
InChIKey
FJJLGOOMXSGOBD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc2c1cccc2)/C=C/c1ccco1
Isomeric Smiles
o1c(ccc1)/C=C/C(=O)c1cccc2ccccc12
Calculated Properties
JChem
Acid pKa
14.799594
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9400487
LogD (pH = 7.4)
3.9400487
Log P
3.9400487
Molar Refractivity
75.7181
Polarizability
29.773643
Polar Surface Area
30.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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