Molecule

ID:80134

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁Cl₃N₃O₂P
Molecular Mass
366.567401
Exact Mass
364.96544628
Charge
0
InChI
InChI=1S/C12H11Cl3N3O2P/c13-12(14,15)11-16-10(9-5-2-1-3-6-9)17-21(18-11)19-7-4-8-20-21/h1-3,5-6H,4,7-8H2
InChIKey
HBULSJVYFODPLC-UHFFFAOYSA-N
Canonic Smiles
ClC(C1=NC(=NP2(=N1)OCCCO2)c1ccccc1)(Cl)Cl
Isomeric Smiles
P12(=NC(=NC(=N1)c1ccccc1)C(Cl)(Cl)Cl)OCCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5326269
LogD (pH = 7.4)
2.532627
Log P
2.532627
Molar Refractivity
84.6365
Polarizability
32.41459
Polar Surface Area
55.54
Rotatable Bonds
2
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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