N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-nitrophenyl)ethanimidamide

Formula:C14H10N3O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-nitrophenyl)ethanimidamide is a drug-like molecule.

MolName	N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-nitrophenyl)ethanimidamide
MolecularFormula	C14H10N3O4F3S
Smiles	[O-][N+](c(cc1)ccc1N/C(/C(F)(F)F)=N/S(c1ccccc1)(=O)=O)=O
InChI	InChI=1S/C14H10F3N3O4S/c15-14(16,17)13(18-10-6-8-11(9-7-10)20(21)22)19-25(23,24)12-4-2-1-3-5-12/h1-9H,(H,18,19)
InChIK	KHMLPHXYDVNWEM-UHFFFAOYSA-N
TotalMolweight	373.31
Molweight	373.31
MonoisotopicMass	373.034411
CLogP	1.8305
CLogS	-4.25
H Acceptors	7
H Donors	1
TotalSurfaceArea	249.16
Relative PSA	0.32899
PolarSurfaceArea	112.73
Druglikeness	-26.96
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	7
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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