Molecule

ID:40634

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₂F₃N₃
Molecular Mass
262.0597296
Exact Mass
261.00473729
Charge
0
InChI
InChI=1S/C7H7ClF3N3.ClH/c1-14(12)6-5(8)2-4(3-13-6)7(9,10)11;/h2-3H,12H2,1H3;1H
InChIKey
QHHFUBWGSNLJOI-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncc(cc1Cl)C(F)(F)F)N.Cl
Isomeric Smiles
c1(cnc(c(c1)Cl)N(N)C)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.049285
LogD (pH = 7.4)
2.2667994
Log P
2.2704828
Molar Refractivity
58.5051
Polarizability
17.117353
Polar Surface Area
42.15
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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