Molecule

ID:95379

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₃FN₃O₂
Molecular Mass
376.5975632
Exact Mass
374.9744378
Charge
0
InChI
InChI=1S/C14H9Cl3FN3O2/c15-12(16)13(17)21-14(22)20-9-3-6-11(19-7-9)23-10-4-1-8(18)2-5-10/h1-7H,(H2,20,21,22)
InChIKey
PVQNJMWMEKRFQE-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=C(Cl)Cl)Cl)Nc1ccc(nc1)Oc1ccc(cc1)F
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1ccc(nc1)Oc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.573359
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.191261
LogD (pH = 7.4)
4.1912484
Log P
4.191275
Molar Refractivity
108.0502
Polarizability
32.825565
Polar Surface Area
63.25
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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