Molecule

ID:50741

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂F₃N₂O
Molecular Mass
259.0127296
Exact Mass
257.95745275
Charge
0
InChI
InChI=1S/C7H3Cl2F3N2O/c8-4-3(6(13)15)2(7(10,11)12)1-14-5(4)9/h1H,(H2,13,15)
InChIKey
LQHHWPOWBMGPQQ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(Cl)c(Cl)ncc1C(F)(F)F
Isomeric Smiles
c1(c(C(F)(F)F)cnc(c1Cl)Cl)C(=O)N
Calculated Properties
JChem
Acid pKa
11.482314
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9123291
LogD (pH = 7.4)
1.9123608
Log P
1.9123287
Molar Refractivity
49.6241
Polarizability
17.84732
Polar Surface Area
55.98
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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