Molecule

ID:86268

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉ClNP
Molecular Mass
339.798321
Exact Mass
339.09436392
Charge
0
InChI
InChI=1S/C20H19ClNP/c1-2-23(19-9-5-3-6-10-19,20-11-7-4-8-12-20)22-18-15-13-17(21)14-16-18/h3-16H,2H2,1H3
InChIKey
KTBKARSBDOXIJO-UHFFFAOYSA-N
Canonic Smiles
CCP(=Nc1ccc(cc1)Cl)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=Nc1ccc(cc1)Cl)(c1ccccc1)(c1ccccc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.529872
LogD (pH = 7.4)
6.530097
Log P
6.5301
Molar Refractivity
101.6428
Polarizability
38.96969
Polar Surface Area
12.36
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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