Molecule

ID:18871

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-12-8-4-7(6-11)5-9-10(8)14-3-2-13-9/h4-6H,2-3H2,1H3
InChIKey
MCPICTRPQGUUJE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(OC)c2c(c1)OCCO2
Isomeric Smiles
c12c(cc(cc1OC)C=O)OCCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0412095
LogD (pH = 7.4)
1.0412095
Log P
1.0412095
Molar Refractivity
50.0626
Polarizability
19.095188
Polar Surface Area
44.76
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
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Molecule Details
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References
Bioactivity
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