Molecule
ID:84473
General Information
Molecular Formula
C₁₉H₁₅Cl₂N₃O
Molecular Mass
372.2479
Exact Mass
371.05921748
Charge
0
InChI
InChI=1S/C19H15Cl2N3O/c20-17-9-16(10-18(21)23-17)19(25)24(12-14-5-2-1-3-6-14)13-15-7-4-8-22-11-15/h1-11H,12-13H2
InChIKey
KZBPCQAIHPNEKK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)N(Cc1cccnc1)Cc1ccccc1
Isomeric Smiles
N(C(=O)c1cc(nc(c1)Cl)Cl)(Cc1cccnc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.861032
LogD (pH = 7.4)
3.932274
Log P
3.9332833
Molar Refractivity
101.5734
Polarizability
38.10853
Polar Surface Area
46.09
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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