Molecule

ID:129416

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈O₆
Molecular Mass
400.46482
Exact Mass
400.18858862
Charge
0
InChI
InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
InChIKey
RTZKSTLPRTWFEV-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CC(C)C(C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
Isomeric Smiles
CC1Cc2cc3c(c(c2c2c(c(c(cc2CC1C)OC)OC)OC)OC)OCO3
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.639312
LogD (pH = 7.4)
4.639312
Log P
4.639312
Molar Refractivity
109.3933
Polarizability
43.97579
Polar Surface Area
55.38
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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