N-[(Z)-3-(3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H16N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-(3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H16N4O6
Smiles	[O-][N+](c1ccc(/C=C(/C(Nc2cccc([N+]([O-])=O)c2)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C22H16N4O6/c27-21(16-5-2-1-3-6-16)24-20(13-15-9-11-18(12-10-15)25(29)30)22(28)23-17-7-4-8-19(14-17)26(31)32/h1-14H,(H,23,28)(H,24,27)
InChIK	XUCNCCCCVAKGJT-UHFFFAOYSA-N
TotalMolweight	432.391
Molweight	432.391
MonoisotopicMass	432.106986
CLogP	2.5806
CLogS	-5.793
H Acceptors	10
H Donors	2
TotalSurfaceArea	323.25
Relative PSA	0.3398
PolarSurfaceArea	149.84
Druglikeness	-2.1178
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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