Molecule

ID:59756

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄O₅
Molecular Mass
310.30076
Exact Mass
310.08412355
Charge
0
InChI
InChI=1S/C18H14O5/c1-11-15(22-10-16(19)20)8-7-13-14(9-17(21)23-18(11)13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20)
InChIKey
WBGUFVKWKXBGGO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc2c(c1C)oc(=O)cc2c1ccccc1
Isomeric Smiles
c12c(c(cc(=O)o1)c1ccccc1)ccc(c2C)OCC(=O)O
Calculated Properties
JChem
Acid pKa
3.1610858
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7365308
LogD (pH = 7.4)
-0.40174842
Log P
3.0502915
Molar Refractivity
92.6903
Polarizability
31.93381
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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