1-[(E)-3-morpholin-4-yl-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]pyridin-2-one

Formula:C19H17N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-morpholin-4-yl-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]pyridin-2-one is a drug-like molecule.

MolName	1-[(E)-3-morpholin-4-yl-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]pyridin-2-one
MolecularFormula	C19H17N3O7
Smiles	[O-][N+](c1c(/C=C(\C(N2CCOCC2)=O)/N(C=CC=C2)C2=O)cc2OCOc2c1)=O
InChI	InChI=1S/C19H17N3O7/c23-18-3-1-2-4-21(18)15(19(24)20-5-7-27-8-6-20)9-13-10-16-17(29-12-28-16)11-14(13)22(25)26/h1-4,9-11H,5-8,12H2
InChIK	NRKAOQGFRSUPMV-UHFFFAOYSA-N
TotalMolweight	399.358
Molweight	399.358
MonoisotopicMass	399.106652
CLogP	0.9303
CLogS	-3.362
H Acceptors	10
TotalSurfaceArea	289.04
Relative PSA	0.32383
PolarSurfaceArea	114.13
Druglikeness	-2.2952
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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