Molecule
ID:75050
General Information
Molecular Formula
C₂₇H₃₀O₆
Molecular Mass
450.5235
Exact Mass
450.20423868
Charge
0
InChI
InChI=1S/C27H30O6/c1-28-22-10-16-7-18-12-24(30-3)26(32-5)14-20(18)9-21-15-27(33-6)25(31-4)13-19(21)8-17(16)11-23(22)29-2/h10-15H,7-9H2,1-6H3
InChIKey
YECHEDVCXXVLIY-UHFFFAOYSA-N
Canonic Smiles
COc1cc2Cc3cc(OC)c(cc3Cc3c(Cc2cc1OC)cc(OC)c(c3)OC)OC
Isomeric Smiles
O(c1c(cc2c(c1)Cc1c(cc(c(c1)OC)OC)Cc1cc(c(cc1C2)OC)OC)OC)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
5.3293543
LogD (pH = 7.4)
5.3293543
Log P
5.3293543
Molar Refractivity
127.9908
Polarizability
49.181087
Polar Surface Area
55.38
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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