Molecule
ID:119750
General Information
Molecular Formula
C₁₅H₁₆O₆
Molecular Mass
292.28394
Exact Mass
292.09468823
Charge
0
InChI
InChI=1S/C15H16O6/c1-8-9-5-6-11(18-2)14(20-4)13(9)21-15(17)10(8)7-12(16)19-3/h5-6H,7H2,1-4H3
InChIKey
SWINBGOFHMHMDE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2OC)OC
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4331832
LogD (pH = 7.4)
1.4331832
Log P
1.4331832
Molar Refractivity
74.1496
Polarizability
28.933336
Polar Surface Area
71.06
Rotatable Bonds
5
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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