Molecule

ID:27010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂F₃NO
Molecular Mass
286.0778296
Exact Mass
284.9935039
Charge
0
InChI
InChI=1S/C10H8Cl2F3NO/c1-5(11)9(17)16-8-4-6(10(13,14)15)2-3-7(8)12/h2-5H,1H3,(H,16,17)
InChIKey
GVZJPYFBHFOGLJ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)Cl
Isomeric Smiles
C(c1cc(NC(=O)C(Cl)C)c(cc1)Cl)(F)(F)F
Calculated Properties
JChem
Acid pKa
11.989959
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7989573
LogD (pH = 7.4)
3.7989469
Log P
3.7989573
Molar Refractivity
60.9466
Polarizability
22.179125
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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