Molecule
ID:119824
General Information
Molecular Formula
C₁₉H₁₆O₇
Molecular Mass
356.32614
Exact Mass
356.08960285
Charge
0
InChI
InChI=1S/C19H16O7/c1-23-15-6-4-11(8-17(15)24-2)14-7-12-3-5-13(25-10-18(20)21)9-16(12)26-19(14)22/h3-9H,10H2,1-2H3,(H,20,21)
InChIKey
CUBJYGSQJQQUNX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1cc2ccc(cc2oc1=O)OCC(=O)O
Isomeric Smiles
c1(c(=O)oc2c(c1)ccc(c2)OCC(=O)O)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
3.0072103
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
4.1634546E-4
LogD (pH = 7.4)
-1.017313
Log P
2.4564168
Molar Refractivity
91.4749
Polarizability
35.324566
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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