Molecule

ID:107342

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄O
Molecular Mass
246.30316
Exact Mass
246.10446507
Charge
0
InChI
InChI=1S/C18H14O/c1-13-11-12-14-7-5-6-10-16(14)17(13)18(19)15-8-3-2-4-9-15/h2-12H,1H3
InChIKey
FZDRTKCXVAUHJB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1C(=O)c1ccccc1)cccc2
Isomeric Smiles
Cc1ccc2ccccc2c1C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.935497
LogD (pH = 7.4)
4.935497
Log P
4.935497
Molar Refractivity
78.1249
Polarizability
31.419722
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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