4-nitro-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-phenylprop-1-en-2-yl]benzamide

Formula:C22H15N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-nitro-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C22H15N3O6
Smiles	[O-][N+](c1ccc(/C=C(\C(c2ccccc2)=O)/NC(c(cc2)ccc2[N+]([O-])=O)=O)cc1)=O
InChI	InChI=1S/C22H15N3O6/c26-21(16-4-2-1-3-5-16)20(14-15-6-10-18(11-7-15)24(28)29)23-22(27)17-8-12-19(13-9-17)25(30)31/h1-14H,(H,23,27)
InChIK	LVVRBPWPRCZBFR-UHFFFAOYSA-N
TotalMolweight	417.376
Molweight	417.376
MonoisotopicMass	417.096087
CLogP	2.7481
CLogS	-6.135
H Acceptors	9
H Donors	1
TotalSurfaceArea	311.79
Relative PSA	0.31553
PolarSurfaceArea	137.81
Druglikeness	-2.1492
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	1
AcidicOxygens	2
StereoCon

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