(E)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Formula:C16H10N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
MolecularFormula	C16H10N4O5S2
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2nc(-c(cc3)ccc3[N+]([O-])=O)cs2)=O)s1)=O
InChI	InChI=1S/C16H10N4O5S2/c21-14(7-5-12-6-8-15(27-12)20(24)25)18-16-17-13(9-26-16)10-1-3-11(4-2-10)19(22)23/h1-9H,(H,17,18,21)
InChIK	PUUHNJSZWHMXNP-UHFFFAOYSA-N
TotalMolweight	402.41
Molweight	402.41
MonoisotopicMass	402.009261
CLogP	2.7248
CLogS	-6.089
H Acceptors	9
H Donors	1
TotalSurfaceArea	286.47
Relative PSA	0.47834
PolarSurfaceArea	190.11
Druglikeness	-2.7725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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