N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide

Formula:C17H13N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide
MolecularFormula	C17H13N3O6S
Smiles	[O-][N+](c1ccc(/C=C(/C(N2CCNC(c3ccco3)=O)=O)\SC2=O)cc1)=O
InChI	InChI=1S/C17H13N3O6S/c21-15(13-2-1-9-26-13)18-7-8-19-16(22)14(27-17(19)23)10-11-3-5-12(6-4-11)20(24)25/h1-6,9-10H,7-8H2,(H,18,21)
InChIK	YXJZSCQAYIIASU-UHFFFAOYSA-N
TotalMolweight	387.371
Molweight	387.371
MonoisotopicMass	387.052507
CLogP	0.9432
CLogS	-4.166
H Acceptors	9
H Donors	1
TotalSurfaceArea	277.61
Relative PSA	0.41839
PolarSurfaceArea	150.74
Druglikeness	0.55821
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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