Molecule

ID:19416

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClF₂N
Molecular Mass
241.6643064
Exact Mass
241.04698345
Charge
0
InChI
InChI=1S/C12H9F2N.ClH/c13-10-3-1-2-8(6-10)9-4-5-12(15)11(14)7-9;/h1-7H,15H2;1H
InChIKey
LJGZUYQSPWUPBM-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1ccc(c(c1)F)N.Cl
Isomeric Smiles
c1(cc(c(cc1)N)F)c1cc(F)ccc1.Cl
Calculated Properties
JChem
Acid pKa
18.94434
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0767767
LogD (pH = 7.4)
3.076947
Log P
3.0769491
Molar Refractivity
56.3274
Polarizability
21.706636
Polar Surface Area
26.02
Rotatable Bonds
1
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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