Molecule

ID:95387

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂FNO
Molecular Mass
278.1500632
Exact Mass
277.04364765
Charge
0
InChI
InChI=1S/C12H14Cl2FNO/c1-12(2,7-13)11(17)16-6-8-3-4-10(15)9(14)5-8/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKey
QWIGZCVPUXJGIW-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)NCc1ccc(c(c1)Cl)F)(C)C
Isomeric Smiles
N(C(=O)C(CCl)(C)C)Cc1cc(c(cc1)F)Cl
Calculated Properties
JChem
Acid pKa
12.421626
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5379646
LogD (pH = 7.4)
3.537961
Log P
3.5379646
Molar Refractivity
67.5245
Polarizability
26.057749
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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