Molecule

ID:59874

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄O₅
Molecular Mass
310.30076
Exact Mass
310.08412355
Charge
0
InChI
InChI=1S/C18H14O5/c1-11(18(20)21)22-13-7-8-14-15(12-5-3-2-4-6-12)10-17(19)23-16(14)9-13/h2-11H,1H3,(H,20,21)
InChIKey
RJPJBRVAOGKWOD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(OC(C(=O)O)C)cc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.0703795
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7076089
LogD (pH = 7.4)
-0.35998234
Log P
3.1056345
Molar Refractivity
92.143
Polarizability
32.007
Polar Surface Area
72.83
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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