(2Z)-N-(4-bromoanilino)-4-oxo-1,3-thiazole-2-carboximidoyl cyanide

Formula:C11H7N4OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-N-(4-bromoanilino)-4-oxo-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.

MolName	(2Z)-N-(4-bromoanilino)-4-oxo-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C11H7N4OBrS
Smiles	N#C/C(/C(SC1)=NC1=O)=N/Nc(cc1)ccc1Br
InChI	InChI=1S/C11H7BrN4OS/c12-7-1-3-8(4-2-7)15-16-9(5-13)11-14-10(17)6-18-11/h1-4,15H,6H2
InChIK	MUJMDMVLOPZFJD-UHFFFAOYSA-N
TotalMolweight	323.174
Molweight	323.174
MonoisotopicMass	321.952392
CLogP	2.1237
CLogS	-2.738
H Acceptors	5
H Donors	1
TotalSurfaceArea	206.5
Relative PSA	0.38048
PolarSurfaceArea	102.91
Druglikeness	-2.8303
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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