(2E)-N-(4-bromoanilino)-4-(3-bromophenyl)-1,3-thiazole-2-carboximidoyl cyanide

Formula:C17H10N4Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-N-(4-bromoanilino)-4-(3-bromophenyl)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-N-(4-bromoanilino)-4-(3-bromophenyl)-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C17H10N4Br2S
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=N\Nc(cc1)ccc1Br
InChI	InChI=1S/C17H10Br2N4S/c18-12-4-6-14(7-5-12)22-23-15(9-20)17-21-16(10-24-17)11-2-1-3-13(19)8-11/h1-8,10,22H
InChIK	IIUPRZXPVSMBRZ-UHFFFAOYSA-N
TotalMolweight	462.168
Molweight	462.168
MonoisotopicMass	459.899288
CLogP	6.0551
CLogS	-6.133
H Acceptors	4
H Donors	1
TotalSurfaceArea	280.88
Relative PSA	0.2416
PolarSurfaceArea	89.31
Druglikeness	-2.1699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
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
StereoCon

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