(2E)-4-(1,3-benzodioxol-5-yl)-N-(4-bromoanilino)-1,3-thiazole-2-carboximidoyl cyanide

Formula:C18H11N4O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-4-(1,3-benzodioxol-5-yl)-N-(4-bromoanilino)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-4-(1,3-benzodioxol-5-yl)-N-(4-bromoanilino)-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C18H11N4O2BrS
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=N\Nc(cc1)ccc1Br
InChI	InChI=1S/C18H11BrN4O2S/c19-12-2-4-13(5-3-12)22-23-14(8-20)18-21-15(9-26-18)11-1-6-16-17(7-11)25-10-24-16/h1-7,9,22H,10H2
InChIK	UYCTWEXBAMSTOG-UHFFFAOYSA-N
TotalMolweight	427.281
Molweight	427.281
MonoisotopicMass	425.978607
CLogP	5.4413
CLogS	-6.01
H Acceptors	6
H Donors	1
TotalSurfaceArea	282.51
Relative PSA	0.311
PolarSurfaceArea	107.77
Druglikeness	-2.3931
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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