Molecule

ID:119818

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄O₆
Molecular Mass
326.30016
Exact Mass
326.07903817
Charge
0
InChI
InChI=1S/C18H14O6/c1-22-13-5-2-11(3-6-13)15-8-12-4-7-14(23-10-17(19)20)9-16(12)24-18(15)21/h2-9H,10H2,1H3,(H,19,20)
InChIKey
FBFATUHSFXQVJN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cc2ccc(cc2oc1=O)OCC(=O)O
Isomeric Smiles
c1(=O)c(cc2c(o1)cc(OCC(=O)O)cc2)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.0188856
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.16875438
LogD (pH = 7.4)
-0.8582188
Log P
2.6140883
Molar Refractivity
85.0117
Polarizability
32.780113
Polar Surface Area
82.06
Rotatable Bonds
5
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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