Molecule

ID:74960

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃ClNO₃P
Molecular Mass
391.828281
Exact Mass
391.11040791
Charge
0
InChI
InChI=1S/C20H23ClNO3P/c1-3-24-26(23,25-4-2)15-17-14-22(13-16-8-6-5-7-9-16)20-11-10-18(21)12-19(17)20/h5-12,14H,3-4,13,15H2,1-2H3
InChIKey
YCHBRRINSFUIDZ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1cn(c2c1cc(Cl)cc2)Cc1ccccc1)OCC
Isomeric Smiles
n1(c2c(cc(cc2)Cl)c(c1)CP(=O)(OCC)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9845076
LogD (pH = 7.4)
4.9845076
Log P
4.9845076
Molar Refractivity
105.7768
Polarizability
42.611946
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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