Molecule

ID:101585

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂F₃N₂O
Molecular Mass
247.0020296
Exact Mass
245.95745275
Charge
0
InChI
InChI=1S/C6H3Cl2F3N2O/c1-13-4(7)2(5(8)14)3(12-13)6(9,10)11/h1H3
InChIKey
YGIMKPAWLFTFLV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(Cl)n(nc1C(F)(F)F)C
Isomeric Smiles
c1(c(c(n(n1)C)Cl)C(=O)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1747725
LogD (pH = 7.4)
2.1747725
Log P
2.1747725
Molar Refractivity
56.4837
Polarizability
16.399685
Polar Surface Area
34.89
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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