Molecule

ID:111133

General Information
Structure
MolImage
Molecular Formula
C₂₇H₂₄O₃
Molecular Mass
396.47766
Exact Mass
396.17254463
Charge
0
InChI
InChI=1S/C27H24O3/c1-4-10-22(11-5-1)19-28-25-16-17-26(29-20-23-12-6-2-7-13-23)27(18-25)30-21-24-14-8-3-9-15-24/h1-18H,19-21H2
InChIKey
URHCLZLFJKTWDS-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)COc1cc(OCc2ccccc2)ccc1OCc1ccccc1
Isomeric Smiles
C(Oc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.673651
LogD (pH = 7.4)
6.673651
Log P
6.673651
Molar Refractivity
119.2854
Polarizability
46.711163
Polar Surface Area
27.69
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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