Molecule
ID:121935
General Information
Molecular Formula
C₁₄H₁₂O₅
Molecular Mass
260.24208
Exact Mass
260.06847348
Charge
0
InChI
InChI=1S/C14H12O5/c1-3-18-14(17)11(8(2)15)12-9-6-4-5-7-10(9)13(16)19-12/h4-7H,3H2,1-2H3/b12-11-
InChIKey
PDPRWZQOTIGGHM-QXMHVHEDSA-N
Canonic Smiles
CCOC(=O)/C(=C/1\OC(=O)c2c1cccc2)/C(=O)C
Isomeric Smiles
C\1(=C(/C(=O)OCC)\C(=O)C)/OC(=O)c2c1cccc2
Calculated Properties
JChem
Acid pKa
17.919262
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8271983
LogD (pH = 7.4)
1.8271983
Log P
1.8271983
Molar Refractivity
67.8593
Polarizability
25.774097
Polar Surface Area
69.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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