Molecule

ID:91302

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)9-6-2-4-8-5-3-7-10(13)11(8)9/h2-7,13H,1H3
InChIKey
DSFFPEOQMHEQIH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1c(O)ccc2
Isomeric Smiles
O(C(=O)c1cccc2c1c(ccc2)O)C
Calculated Properties
JChem
Acid pKa
9.040257
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.66251
LogD (pH = 7.4)
2.6528702
Log P
2.6626341
Molar Refractivity
56.5144
Polarizability
22.867878
Polar Surface Area
46.53
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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