Molecule

ID:97754

General Information
Structure
Molecular Formula
C₉H₉Cl₂FN₂
Molecular Mass
235.0855632
Exact Mass
234.01268188
Charge
0
InChI
InChI=1S/C9H7FN2.2ClH/c10-8-3-1-2-6-4-7(11)5-12-9(6)8;;/h1-5H,11H2;2*1H
InChIKey
LNWWLFVOVXIGAU-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc2c(c1)cccc2F.Cl.Cl
Isomeric Smiles
n1cc(cc2cccc(c12)F)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4444232
LogD (pH = 7.4)
1.4446733
Log P
1.4446764
Molar Refractivity
44.8961
Polarizability
17.72994
Polar Surface Area
38.91
Rotatable Bonds
0
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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