Molecule

ID:89575

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKey
QIBMVRYNEXOCCF-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1C)OC)C(=O)O
Isomeric Smiles
O=C(c1cc(c(c(c1)OC)C)OC)O
Calculated Properties
JChem
Acid pKa
3.8486016
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.17363721
LogD (pH = 7.4)
-1.410479
Log P
1.8289076
Molar Refractivity
51.2818
Polarizability
19.498825
Polar Surface Area
55.76
Rotatable Bonds
3
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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