Molecule

ID:10007

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKey
IODOXLXFXNATGI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
C(=O)(c1cc2c(cccc2)cc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9661996
LogD (pH = 7.4)
2.9661996
Log P
2.9661996
Molar Refractivity
54.5335
Polarizability
22.296444
Polar Surface Area
26.3
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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