Molecule
ID:43016
General Information
Molecular Formula
C₂₈H₂₅NO₄
Molecular Mass
439.5024
Exact Mass
439.17835829
Charge
0
InChI
InChI=1S/C28H25NO4/c1-30-24-11-10-19(14-25(24)31-2)21-16-23(18-8-6-5-7-9-18)29-13-12-20-15-26(32-3)27(33-4)17-22(20)28(21)29/h5-17H,1-4H3
InChIKey
SREZMASOWCYWFO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC)c1cc(n2c1c1cc(OC)c(cc1cc2)OC)c1ccccc1
Isomeric Smiles
n12c(c(cc1c1ccccc1)c1cc(c(cc1)OC)OC)c1c(cc2)cc(c(c1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.1830034
LogD (pH = 7.4)
5.1830034
Log P
5.1830034
Molar Refractivity
130.5936
Polarizability
54.512444
Polar Surface Area
41.33
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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