Molecule

ID:74956

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄NO₃P
Molecular Mass
357.383221
Exact Mass
357.14938026
Charge
0
InChI
InChI=1S/C20H24NO3P/c1-3-23-25(22,24-4-2)16-18-15-21(14-17-10-6-5-7-11-17)20-13-9-8-12-19(18)20/h5-13,15H,3-4,14,16H2,1-2H3
InChIKey
XMFPOXYSSVFURJ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1cn(c2c1cccc2)Cc1ccccc1)OCC
Isomeric Smiles
n1(c2c(cccc2)c(c1)CP(=O)(OCC)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4203196
LogD (pH = 7.4)
4.4203196
Log P
4.4203196
Molar Refractivity
100.972
Polarizability
40.76191
Polar Surface Area
40.46
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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