Molecule

ID:16743

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-2-12-8-4-10-9(13-6-14-10)3-7(8)5-11/h3-5H,2,6H2,1H3
InChIKey
VQCXREJZJFLYAV-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc2OCOc2cc1C=O
Isomeric Smiles
c12c(cc(c(c1)OCC)C=O)OCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5081183
LogD (pH = 7.4)
1.5081183
Log P
1.5081183
Molar Refractivity
49.6207
Polarizability
19.092134
Polar Surface Area
44.76
Rotatable Bonds
3
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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