Molecule

ID:5910

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)
InChIKey
GHRYSOFWKRRLMI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1cccc2c1cccc2
Isomeric Smiles
C(=O)(COc1cccc2ccccc12)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.85
LogD (pH = 5.5)
0.82
Log P
2.28
Rotatable Bonds
3
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.05
Polar Surface Area
46.53
Polarizability
20.53
Molar Refractivity
55.06
LOG S
-3.40
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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