Molecule

ID:100433

General Information
Structure
MolImage
Molecular Formula
C₆H₉Cl₂FN₂
Molecular Mass
199.0534632
Exact Mass
198.01268188
Charge
0
InChI
InChI=1S/C6H7FN2.2ClH/c7-5-1-2-9-6(3-5)4-8;;/h1-3H,4,8H2;2*1H
InChIKey
BJPKPLBQCNCSGP-UHFFFAOYSA-N
Canonic Smiles
NCc1nccc(c1)F.Cl.Cl
Isomeric Smiles
n1c(cc(cc1)F)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5306365
LogD (pH = 7.4)
-0.8938028
Log P
0.10551565
Molar Refractivity
32.0687
Polarizability
12.46613
Polar Surface Area
38.91
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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