Molecule
ID:83586
General Information
Molecular Formula
C₂₅H₂₄O₆
Molecular Mass
420.45446
Exact Mass
420.15728849
Charge
0
InChI
InChI=1S/C25H24O6/c1-27-17-13-20(28-2)22(21(14-17)29-3)24-25(31-24)23(26)18-11-7-8-12-19(18)30-15-16-9-5-4-6-10-16/h4-14,24-25H,15H2,1-3H3
InChIKey
XMQWMTWBFQYAMD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc(c1C1OC1C(=O)c1ccccc1OCc1ccccc1)OC
Isomeric Smiles
O1C(C1c1c(cc(cc1OC)OC)OC)C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.738696
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.2752314
LogD (pH = 7.4)
4.2752314
Log P
4.2752314
Molar Refractivity
115.4387
Polarizability
45.119366
Polar Surface Area
66.52
Rotatable Bonds
9
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
No Data Available
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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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