2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide

Formula:C22H16N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
MolecularFormula	C22H16N4O5
Smiles	[O-][N+](c1c(/C=C/C(/c2ccccc2)=N/NC(c(cccc2)c2[N+]([O-])=O)=O)cccc1)=O
InChI	InChI=1S/C22H16N4O5/c27-22(18-11-5-7-13-21(18)26(30)31)24-23-19(16-8-2-1-3-9-16)15-14-17-10-4-6-12-20(17)25(28)29/h1-15H,(H,24,27)
InChIK	LMJKNSRDRMCZDP-UHFFFAOYSA-N
TotalMolweight	416.392
Molweight	416.392
MonoisotopicMass	416.112071
CLogP	3.0693
CLogS	-6.541
H Acceptors	9
H Donors	1
TotalSurfaceArea	318.8
Relative PSA	0.3038
PolarSurfaceArea	133.1
Druglikeness	-1.7635
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.45161
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	2
AcidicOxygens	2
StereoCon

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1 - 2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide | 2 - 2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide

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