Molecule

ID:114239

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClF₃N₂
Molecular Mass
258.6269496
Exact Mass
258.01716054
Charge
0
InChI
InChI=1S/C11H6ClF3N2/c12-10-5-4-9(16-17-10)7-2-1-3-8(6-7)11(13,14)15/h1-6H
InChIKey
TVWOBKTURBXCNX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(c2nnc(cc2)Cl)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5109472
LogD (pH = 7.4)
3.5109494
Log P
3.5109494
Molar Refractivity
60.3684
Polarizability
22.51073
Polar Surface Area
25.78
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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