Molecule

ID:70091

General Information
Structure
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3,(H,13,14)
InChIKey
SIVYRLBDAPKADZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c2c1cccc2)C
Isomeric Smiles
c1(ccc(c2ccccc12)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.834388
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.464737
LogD (pH = 7.4)
-0.11252506
Log P
3.1337268
Molar Refractivity
54.8056
Polarizability
21.952404
Polar Surface Area
37.3
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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