N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-bromophenyl)-1,3-thiazol-2-amine

Formula:C17H12N3O2BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-bromophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-bromophenyl)-1,3-thiazol-2-amine
MolecularFormula	C17H12N3O2BrS
Smiles	Brc(cc1)ccc1-c1csc(N/N=C\c(cc2)cc3c2OCO3)n1
InChI	InChI=1S/C17H12BrN3O2S/c18-13-4-2-12(3-5-13)14-9-24-17(20-14)21-19-8-11-1-6-15-16(7-11)23-10-22-15/h1-9H,10H2,(H,20,21)
InChIK	VLPICWHEPQLHMF-UHFFFAOYSA-N
TotalMolweight	402.271
Molweight	402.271
MonoisotopicMass	400.983358
CLogP	7.053
CLogS	-6.205
H Acceptors	5
H Donors	1
TotalSurfaceArea	262.59
Relative PSA	0.28295
PolarSurfaceArea	83.98
Druglikeness	1.9273
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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