(2E)-4-(4-fluorophenyl)-N-(3-nitroanilino)-1,3-thiazole-2-carboximidoyl cyanide

Formula:C17H10N5O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-4-(4-fluorophenyl)-N-(3-nitroanilino)-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.

MolName	(2E)-4-(4-fluorophenyl)-N-(3-nitroanilino)-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C17H10N5O2FS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=N\Nc1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C17H10FN5O2S/c18-12-6-4-11(5-7-12)16-10-26-17(20-16)15(9-19)22-21-13-2-1-3-14(8-13)23(24)25/h1-8,10,21H
InChIK	NQMAMGUCTCDHCU-UHFFFAOYSA-N
TotalMolweight	367.363
Molweight	367.363
MonoisotopicMass	367.053923
CLogP	3.7839
CLogS	-5.239
H Acceptors	7
H Donors	1
TotalSurfaceArea	273.64
Relative PSA	0.35916
PolarSurfaceArea	135.13
Druglikeness	-6.9475
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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