Molecule

ID:45090

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClF₃N₂
Molecular Mass
210.5841496
Exact Mass
210.01716054
Charge
0
InChI
InChI=1S/C7H6ClF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
InChIKey
BUSGYQISMPLVIJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)c(cc1N)C(F)(F)F
Isomeric Smiles
c1(C(F)(F)F)c(cc(c(c1)N)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7963821
LogD (pH = 7.4)
1.7972757
Log P
1.7972871
Molar Refractivity
46.2373
Polarizability
15.845557
Polar Surface Area
52.04
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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