5-[(E)-2-(4-chloroanilino)ethenyl]-3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Formula:C19H12N3Cl3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(4-chloroanilino)ethenyl]-3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is not a drug-like molecule.

MolName	5-[(E)-2-(4-chloroanilino)ethenyl]-3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
MolecularFormula	C19H12N3Cl3S2
Smiles	N#Cc1c(/C=C/Nc(cc2)ccc2Cl)snc1SCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C19H12Cl3N3S2/c20-13-3-5-15(6-4-13)24-8-7-18-16(10-23)19(25-27-18)26-11-12-1-2-14(21)9-17(12)22/h1-9,24H,11H2
InChIK	NVDWPMZMIFLVOE-UHFFFAOYSA-N
TotalMolweight	452.816
Molweight	452.816
MonoisotopicMass	450.953818
CLogP	6.1076
CLogS	-7.221
H Acceptors	3
H Donors	1
TotalSurfaceArea	324.66
Relative PSA	0.22744
PolarSurfaceArea	102.25
Druglikeness	-2.6176
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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