Molecule

ID:91725

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c1-9-6-7-12(14-9)11-5-3-2-4-10(11)8-13/h2-8H,1H3
InChIKey
XBNQFPPQJHCVIB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1ccc(o1)C
Isomeric Smiles
o1c(ccc1C)c1c(cccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5927815
LogD (pH = 7.4)
2.5927815
Log P
2.5927815
Molar Refractivity
55.3188
Polarizability
21.831411
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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