Molecule
ID:93533
General Information
Molecular Formula
C₂H₅BrClF₂N
Molecular Mass
196.4216064
Exact Mass
194.92619529
Charge
0
InChI
InChI=1S/C2H4BrF2N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKey
MDGFTOPSRLCRNK-UHFFFAOYSA-N
Canonic Smiles
NCC(Br)(F)F.Cl
Isomeric Smiles
NCC(F)(F)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.08962941
LogD (pH = 7.4)
0.6601978
Log P
0.6866968
Molar Refractivity
23.0122
Polarizability
8.865996
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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