Molecule
ID:119712
General Information
Molecular Formula
C₁₉H₁₆O₇
Molecular Mass
356.32614
Exact Mass
356.08960285
Charge
0
InChI
InChI=1S/C19H16O7/c1-23-12-4-6-15(24-2)11(7-12)8-17-19(22)14-5-3-13(9-16(14)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b17-8-
InChIKey
HYEAJWVKPRJCBG-IUXPMGMMSA-N
Canonic Smiles
COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)O)OC
Isomeric Smiles
C\1(=C\c2c(ccc(c2)OC)OC)/C(=O)c2c(O1)cc(OCC(=O)O)cc2
Calculated Properties
JChem
Acid pKa
2.8121607
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-0.42305866
LogD (pH = 7.4)
-1.2858363
Log P
2.207244
Molar Refractivity
92.5205
Polarizability
35.242115
Polar Surface Area
91.29
Rotatable Bonds
6
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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