Molecule

ID:83368

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-6(11)7-2-3-8-10(9(7)12)14-5-4-13-8/h2-3,12H,4-5H2,1H3
InChIKey
FLTQFDOLIDLFQN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc2c(c1O)OCCO2
Isomeric Smiles
O1c2c(c(ccc2OCC1)C(=O)C)O
Calculated Properties
JChem
Acid pKa
10.638229
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3904574
LogD (pH = 7.4)
1.3902118
Log P
1.3904605
Molar Refractivity
49.3991
Polarizability
19.027767
Polar Surface Area
55.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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