4-phenyl-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine

Formula:C16H10N3Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-phenyl-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	4-phenyl-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
MolecularFormula	C16H10N3Cl3S
Smiles	Clc(cc1)c(/C=N/Nc2nc(-c3ccccc3)cs2)c(Cl)c1Cl
InChI	InChI=1S/C16H10Cl3N3S/c17-12-6-7-13(18)15(19)11(12)8-20-22-16-21-14(9-23-16)10-4-2-1-3-5-10/h1-9H,(H,21,22)
InChIK	OBTHVHTWXGJYFS-UHFFFAOYSA-N
TotalMolweight	382.701
Molweight	382.701
MonoisotopicMass	380.966098
CLogP	8.0344
CLogS	-6.868
H Acceptors	3
H Donors	1
TotalSurfaceArea	269.96
Relative PSA	0.20114
PolarSurfaceArea	65.52
Druglikeness	4.0061
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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