Molecule

ID:85582

General Information
Structure
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
InChIKey
OPHQOIGEOHXOGX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)cc(c1OC)OC
Isomeric Smiles
O=Cc1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2127343
LogD (pH = 7.4)
1.2127343
Log P
1.2127343
Molar Refractivity
52.0316
Polarizability
19.809622
Polar Surface Area
44.76
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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