Molecule

ID:77804

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7,13H,1H3
InChIKey
LEENMPKUUNPLHM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(O)ccc2c1cccc2
Isomeric Smiles
Oc1c(c2ccccc2cc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.527326
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3125937
LogD (pH = 7.4)
3.3094327
Log P
3.3126342
Molar Refractivity
56.5144
Polarizability
22.866213
Polar Surface Area
46.53
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
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References
Bioactivity
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