Molecule

ID:95677

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂F₃N₃O₂
Molecular Mass
378.1334296
Exact Mass
376.99456653
Charge
0
InChI
InChI=1S/C14H8Cl2F3N3O2/c15-8-1-3-9(4-2-8)20-13(24)22-12(23)10-5-7(14(17,18)19)6-11(16)21-10/h1-6H,(H2,20,22,23,24)
InChIKey
KAHKNNYFBJSVAY-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1nc(Cl)cc(c1)C(F)(F)F)Nc1ccc(cc1)Cl
Isomeric Smiles
N(C(=O)Nc1ccc(cc1)Cl)C(=O)c1cc(cc(n1)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
8.191824
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.193613
LogD (pH = 7.4)
4.1302648
Log P
4.194486
Molar Refractivity
83.9498
Polarizability
30.169035
Polar Surface Area
71.09
Rotatable Bonds
3
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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