Molecule

ID:26930

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₂F₃NO
Molecular Mass
272.0512496
Exact Mass
270.97785384
Charge
0
InChI
InChI=1S/C9H6Cl2F3NO/c10-4-8(16)15-7-3-5(9(12,13)14)1-2-6(7)11/h1-3H,4H2,(H,15,16)
InChIKey
YJUFYUGDUFBEDG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
Isomeric Smiles
C(c1cc(NC(=O)CCl)c(cc1)Cl)(F)(F)F
Calculated Properties
JChem
Acid pKa
12.083485
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2301931
LogD (pH = 7.4)
3.2301846
Log P
3.2301931
Molar Refractivity
56.4527
Polarizability
20.396927
Polar Surface Area
29.1
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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