Molecule
ID:95398
General Information
Molecular Formula
C₁₇H₁₀Cl₃FN₄O
Molecular Mass
411.6449032
Exact Mass
409.99042222
Charge
0
InChI
InChI=1S/C17H10Cl3FN4O/c18-13-14(19)24-17(20)25-15(13)22-11-2-1-3-12(8-11)23-16(26)9-4-6-10(21)7-5-9/h1-8H,(H,23,26)(H,22,24,25)
InChIKey
CYWQJFQZFNUWNW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1nc(Cl)nc(c1Cl)Cl
Isomeric Smiles
n1c(c(c(nc1Cl)Cl)Cl)Nc1cccc(c1)NC(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.487237
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
5.6555223
LogD (pH = 7.4)
5.655519
Log P
5.6555223
Molar Refractivity
103.4414
Polarizability
37.565575
Polar Surface Area
66.91
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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