Molecule

ID:81065

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₄N₂OP
Molecular Mass
384.025001
Exact Mass
381.93631033
Charge
0
InChI
InChI=1S/C13H11Cl4N2OP/c1-21(20,18-12-4-8(14)2-9(15)5-12)19-13-6-10(16)3-11(17)7-13/h2-7H,1H3,(H2,18,19,20)
InChIKey
PAGCZAZPJUZMNZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1)Cl)NP(=O)(Nc1cc(Cl)cc(c1)Cl)C
Isomeric Smiles
P(=O)(Nc1cc(cc(c1)Cl)Cl)(Nc1cc(cc(c1)Cl)Cl)C
Calculated Properties
JChem
Acid pKa
11.545412
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
4.163321
LogD (pH = 7.4)
4.1632934
Log P
4.1633215
Molar Refractivity
88.8166
Polarizability
34.928825
Polar Surface Area
41.13
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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