Molecule

ID:80253

General Information
Structure
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-6H,1-2H3
InChIKey
YSIIHTHHMPYKFP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)c(cc1C=O)OC
Isomeric Smiles
O=Cc1c(cc(c(c1)OC)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0829079
LogD (pH = 7.4)
1.0829079
Log P
1.0829079
Molar Refractivity
52.1524
Polarizability
19.196074
Polar Surface Area
52.6
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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