Molecule

ID:98312

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂FN₂
Molecular Mass
197.0375832
Exact Mass
195.99703181
Charge
0
InChI
InChI=1S/C6H6ClFN2.ClH/c7-4-2-1-3-5(10-9)6(4)8;/h1-3,10H,9H2;1H
InChIKey
TWYLYPMRIHFEQN-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1F)Cl.Cl
Isomeric Smiles
Fc1c(cccc1Cl)NN.Cl
Calculated Properties
JChem
Acid pKa
16.001719
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0302076
LogD (pH = 7.4)
2.1103244
Log P
2.111635
Molar Refractivity
40.7859
Polarizability
14.523798
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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