Molecule

ID:59605

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₆
Molecular Mass
278.25736
Exact Mass
278.07903817
Charge
0
InChI
InChI=1S/C14H14O6/c1-7-8-4-5-10(18-2)13(19-3)12(8)20-14(17)9(7)6-11(15)16/h4-5H,6H2,1-3H3,(H,15,16)
InChIKey
KADMOGQKDILNCK-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)O
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3874223
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.8123073
LogD (pH = 7.4)
-2.1187713
Log P
1.287289
Molar Refractivity
69.3805
Polarizability
26.864223
Polar Surface Area
82.06
Rotatable Bonds
4
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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