Molecule
ID:74958
General Information
Molecular Formula
C₂₁H₂₆NO₄P
Molecular Mass
387.409201
Exact Mass
387.15994495
Charge
0
InChI
InChI=1S/C21H26NO4P/c1-4-25-27(23,26-5-2)16-18-15-22(14-17-9-7-6-8-10-17)21-13-19(24-3)11-12-20(18)21/h6-13,15H,4-5,14,16H2,1-3H3
InChIKey
DWVRDQSMRYUHMH-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1cn(c2c1ccc(c2)OC)Cc1ccccc1)OCC
Isomeric Smiles
n1(c2c(ccc(c2)OC)c(c1)CP(=O)(OCC)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.224235
LogD (pH = 7.4)
4.224235
Log P
4.224235
Molar Refractivity
107.4352
Polarizability
43.267403
Polar Surface Area
49.69
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...