Molecule

ID:71947

General Information
Structure
MolImage
Molecular Formula
C₅H₈Cl₂FN₃
Molecular Mass
200.0415232
Exact Mass
199.00793085
Charge
0
InChI
InChI=1S/C5H6FN3.2ClH/c6-4-1-2-5(9-7)8-3-4;;/h1-3H,7H2,(H,8,9);2*1H
InChIKey
XWXROBUBIQWJKO-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cn1)F.Cl.Cl
Isomeric Smiles
c1(cnc(cc1)NN)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.56748825
LogD (pH = 7.4)
0.8783418
Log P
0.88437545
Molar Refractivity
34.1377
Polarizability
11.7144785
Polar Surface Area
50.94
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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