Molecule

ID:36184

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂F₃N₂
Molecular Mass
249.0609696
Exact Mass
248.00948832
Charge
0
InChI
InChI=1S/C7H7F3N2.2ClH/c8-7(9,10)6(11)5-3-1-2-4-12-5;;/h1-4,6H,11H2;2*1H
InChIKey
FRNNRJQVLJOGHV-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(F)F)c1ccccn1.Cl.Cl
Isomeric Smiles
C(C(c1ncccc1)N)(F)(F)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1072259
LogD (pH = 7.4)
1.1295737
Log P
1.1298662
Molar Refractivity
37.0477
Polarizability
14.013559
Polar Surface Area
38.91
Rotatable Bonds
2
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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