Molecule

ID:69243

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₅O₂P
Molecular Mass
410.528661
Exact Mass
410.23746699
Charge
0
InChI
InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3
InChIKey
VNFWTIYUKDMAOP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC
Isomeric Smiles
P(c1c(cccc1)c1c(cccc1OC)OC)(C1CCCCC1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.0310125
LogD (pH = 7.4)
6.242745
Log P
6.3074
Molar Refractivity
122.0603
Polarizability
49.74943
Polar Surface Area
18.46
Rotatable Bonds
5
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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