Molecule

ID:127372

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆O₆
Molecular Mass
386.43824
Exact Mass
386.17293855
Charge
0
InChI
InChI=1S/C22H26O6/c1-7-8-14-9-16(23-3)22-19(10-14)28-20(13(2)27-22)15-11-17(24-4)21(26-6)18(12-15)25-5/h7,9-13,20H,1,8H2,2-6H3/t13-,20+/m1/s1
InChIKey
BVNKWNRETUIZFZ-XCLFUZPHSA-N
Canonic Smiles
C=CCc1cc2O[C@@H]([C@H](Oc2c(c1)OC)C)c1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
O1c2c(O[C@@H]([C@H]1c1cc(OC)c(OC)c(OC)c1)C)c(OC)cc(c2)CC=C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.1550794
LogD (pH = 7.4)
4.1550794
Log P
4.1550794
Molar Refractivity
105.8571
Polarizability
41.427387
Polar Surface Area
55.38
Rotatable Bonds
7
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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