Molecule

ID:97692

General Information
Structure
Molecular Formula
C₈H₁₀ClF₂N
Molecular Mass
193.6215064
Exact Mass
193.04698345
Charge
0
InChI
InChI=1S/C8H9F2N.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKey
PEZUBPXSPPADIL-NUBCRITNSA-N
Canonic Smiles
C[C@H](c1c(F)cccc1F)N.Cl
Isomeric Smiles
N[C@@H](c1c(cccc1F)F)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.04407
LogD (pH = 7.4)
0.39536113
Log P
1.8009932
Molar Refractivity
39.383
Polarizability
14.894857
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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