Molecule

ID:95615

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂F₂N₂OP
Molecular Mass
351.1158074
Exact Mass
349.99541141
Charge
0
InChI
InChI=1S/C13H11Cl2F2N2OP/c1-21(20,18-8-2-4-12(16)10(14)6-8)19-9-3-5-13(17)11(15)7-9/h2-7H,1H3,(H2,18,19,20)
InChIKey
SGNRMAWWRRHDMZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Cl)NP(=O)(Nc1ccc(c(c1)Cl)F)C
Isomeric Smiles
P(=O)(Nc1ccc(c(c1)Cl)F)(Nc1ccc(c(c1)Cl)F)C
Calculated Properties
JChem
Acid pKa
11.931937
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.3288858
LogD (pH = 7.4)
3.328875
Log P
3.3288867
Molar Refractivity
79.6398
Polarizability
30.647768
Polar Surface Area
41.13
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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