N-[(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

Formula:C16H12N3BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	N-[(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
MolecularFormula	C16H12N3BrS
Smiles	Brc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChI	InChI=1S/C16H12BrN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20)
InChIK	BRNREFAZMCBAEM-UHFFFAOYSA-N
TotalMolweight	358.262
Molweight	358.262
MonoisotopicMass	356.993528
CLogP	6.9416
CLogS	-5.494
H Acceptors	3
H Donors	1
TotalSurfaceArea	242.33
Relative PSA	0.22407
PolarSurfaceArea	65.52
Druglikeness	2.2081
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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