Molecule

ID:119757

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₆
Molecular Mass
278.25736
Exact Mass
278.07903817
Charge
0
InChI
InChI=1S/C14H14O6/c1-7-9(6-12(15)16)14(17)20-11-5-8(18-2)4-10(19-3)13(7)11/h4-5H,6H2,1-3H3,(H,15,16)
InChIKey
JGZRPANSJRBOJQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)O
Isomeric Smiles
c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
3.3726072
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.82645553
LogD (pH = 7.4)
-2.1223888
Log P
1.287289
Molar Refractivity
69.3805
Polarizability
26.862595
Polar Surface Area
82.06
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
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References
Bioactivity
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