(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide

Formula:C16H11N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C16H11N3O4S
Smiles	[O-][N+](c(cc1)ccc1-c1csc(NC(/C=C/c2ccco2)=O)n1)=O
InChI	InChI=1S/C16H11N3O4S/c20-15(8-7-13-2-1-9-23-13)18-16-17-14(10-24-16)11-3-5-12(6-4-11)19(21)22/h1-10H,(H,17,18,20)
InChIK	WDJQAYFJXTWZSF-UHFFFAOYSA-N
TotalMolweight	341.346
Molweight	341.346
MonoisotopicMass	341.047027
CLogP	2.7789
CLogS	-5.151
H Acceptors	7
H Donors	1
TotalSurfaceArea	256.55
Relative PSA	0.39119
PolarSurfaceArea	129.19
Druglikeness	-3.6531
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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