Molecule

ID:87547

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₂
Molecular Mass
210.228
Exact Mass
210.06807956
Charge
0
InChI
InChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H
InChIKey
HJFGULDHUDIPDA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1ccccc1C=O
Isomeric Smiles
O=Cc1ccccc1c1c(cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.045476
LogD (pH = 7.4)
3.045476
Log P
3.045476
Molar Refractivity
64.3622
Polarizability
25.122902
Polar Surface Area
34.14
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
Molecule Details
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References
Bioactivity
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