Molecule

ID:100432

General Information
Structure
MolImage
Molecular Formula
C₆H₉Cl₂FN₂
Molecular Mass
199.0534632
Exact Mass
198.01268188
Charge
0
InChI
InChI=1S/C6H7FN2.2ClH/c7-6-4-9-2-1-5(6)3-8;;/h1-2,4H,3,8H2;2*1H
InChIKey
CXMPAHTZXHXCHL-UHFFFAOYSA-N
Canonic Smiles
NCc1ccncc1F.Cl.Cl
Isomeric Smiles
n1cc(c(cc1)CN)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8219573
LogD (pH = 7.4)
-1.3840814
Log P
0.024043761
Molar Refractivity
32.5909
Polarizability
12.466798
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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