(E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide

Formula:C16H10N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
MolecularFormula	C16H10N4O5S
Smiles	[O-][N+](c(cc1)cc2c1nc(NC(/C=C/c(cccc1)c1[N+]([O-])=O)=O)s2)=O
InChI	InChI=1S/C16H10N4O5S/c21-15(8-5-10-3-1-2-4-13(10)20(24)25)18-16-17-12-7-6-11(19(22)23)9-14(12)26-16/h1-9H,(H,17,18,21)
InChIK	WVZUGIYSVUFWTN-UHFFFAOYSA-N
TotalMolweight	370.344
Molweight	370.344
MonoisotopicMass	370.037191
CLogP	2.0955
CLogS	-5.385
H Acceptors	9
H Donors	1
TotalSurfaceArea	265.37
Relative PSA	0.43965
PolarSurfaceArea	161.87
Druglikeness	-4.9026
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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