N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine

Formula:C19H11N4OCl3S Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is not a drug-like molecule.

MolNameN-[(Z)-(4-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
MolecularFormulaC19H11N4OCl3S
SmilesClc1ccc(/C=N\Nc2nc(-c3cc(-c(ccc(Cl)c4)c4Cl)no3)cs2)cc1
InChIInChI=1S/C19H11Cl3N4OS/c20-12-3-1-11(2-4-12)9-23-25-19-24-17(10-28-19)18-8-16(26-27-18)14-6-5-13(21)7-15(14)22/h1-10H,(H,24,25)
InChIKYIHVOZSSWRKFOR-UHFFFAOYSA-N
TotalMolweight449.748
Molweight449.748
MonoisotopicMass447.971912
CLogP8.2859
CLogS-7.435
H Acceptors5
H Donors1
TotalSurfaceArea318.17
Relative PSA0.24949
PolarSurfaceArea91.55
Druglikeness5.0546
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.67857
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Symmetricatoms2
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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