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

Formula:C17H10N5O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-N-(4-bromoanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.

MolName	(2E)-N-(4-bromoanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C17H10N5O2BrS
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=N\Nc(cc1)ccc1Br
InChI	InChI=1S/C17H10BrN5O2S/c18-12-4-6-13(7-5-12)21-22-15(9-19)17-20-16(10-26-17)11-2-1-3-14(8-11)23(24)25/h1-8,10,21H
InChIK	VGPOMOVTYYKLII-UHFFFAOYSA-N
TotalMolweight	428.269
Molweight	428.269
MonoisotopicMass	426.973856
CLogP	4.4083
CLogS	-5.759
H Acceptors	7
H Donors	1
TotalSurfaceArea	285.92
Relative PSA	0.34373
PolarSurfaceArea	135.13
Druglikeness	-7.3975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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