Molecule

ID:99461

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂FN₂
Molecular Mass
197.0375832
Exact Mass
195.99703181
Charge
0
InChI
InChI=1S/C6H6ClFN2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
InChIKey
XYWXFBGIZMKSDU-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(Cl)ccc1F.Cl
Isomeric Smiles
N(c1c(ccc(c1)Cl)F)N.Cl
Calculated Properties
JChem
Acid pKa
15.831231
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0351765
LogD (pH = 7.4)
2.1103673
Log P
2.111635
Molar Refractivity
40.7859
Polarizability
14.494714
Polar Surface Area
38.05
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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