Molecule

ID:96463

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClF₃N₂O
Molecular Mass
316.7060896
Exact Mass
316.05902535
Charge
0
InChI
InChI=1S/C14H12ClF3N2O/c15-7-11(21)20-6-5-9-8-3-1-2-4-10(8)19-12(9)13(20)14(16,17)18/h1-4,13,19H,5-7H2
InChIKey
WCIRWWWNBGZXQH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCc2c(C1C(F)(F)F)[nH]c1c2cccc1
Isomeric Smiles
N1(C(c2c(c3ccccc3[nH]2)CC1)C(F)(F)F)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.081846
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7523956
LogD (pH = 7.4)
2.7523956
Log P
2.7523956
Molar Refractivity
73.019
Polarizability
28.15472
Polar Surface Area
36.1
Rotatable Bonds
2
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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