N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide

Formula:C20H18N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide is not a drug-like molecule.

MolName	N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
MolecularFormula	C20H18N4O7
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(N1CCOCC1)=O)=C\c1cccc([N+]([O-])=O)c1)=O)=O
InChI	InChI=1S/C20H18N4O7/c25-19(15-4-6-16(7-5-15)23(27)28)21-18(20(26)22-8-10-31-11-9-22)13-14-2-1-3-17(12-14)24(29)30/h1-7,12-13H,8-11H2,(H,21,25)
InChIK	MKMKJRYAVRPJHY-UHFFFAOYSA-N
TotalMolweight	426.384
Molweight	426.384
MonoisotopicMass	426.117551
CLogP	1.1074
CLogS	-3.991
H Acceptors	11
H Donors	1
TotalSurfaceArea	313.87
Relative PSA	0.35661
PolarSurfaceArea	150.28
Druglikeness	-0.18447
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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