Molecule

ID:107906

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O
Molecular Mass
208.25518
Exact Mass
208.088815
Charge
0
InChI
InChI=1S/C15H12O/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8H,9H2,1H3
InChIKey
IBASEVZORZFIIH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc2c(c1)Cc1c2cccc1
Isomeric Smiles
CC(=O)c1ccc2c(Cc3ccccc23)c1
Calculated Properties
JChem
Acid pKa
16.028185
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2966669
LogD (pH = 7.4)
3.2966669
Log P
3.2966669
Molar Refractivity
65.2762
Polarizability
26.154703
Polar Surface Area
17.07
Rotatable Bonds
1
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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