Molecule

ID:40184

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClF₃N₂O
Molecular Mass
262.6156496
Exact Mass
262.01207516
Charge
0
InChI
InChI=1S/C10H6ClF3N2O/c11-5-8-15-16-9(17-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChIKey
LQIISDDPQIBWSC-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(o1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
n1c(oc(n1)CCl)c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5177128
LogD (pH = 7.4)
2.5177128
Log P
2.5177128
Molar Refractivity
67.2528
Polarizability
20.704826
Polar Surface Area
38.92
Rotatable Bonds
3
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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