1-N,4-N-bis[(Z)-(2-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide

Formula:C22H16N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-N,4-N-bis[(Z)-(2-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide is not a drug-like molecule.

MolName	1-N,4-N-bis[(Z)-(2-nitrophenyl)methylideneamino]benzene-1,4-dicarboxamide
MolecularFormula	C22H16N6O6
Smiles	[O-][N+](c1c(/C=N\NC(c(cc2)ccc2C(N/N=C\c(cccc2)c2[N+]([O-])=O)=O)=O)cccc1)=O
InChI	InChI=1S/C22H16N6O6/c29-21(25-23-13-17-5-1-3-7-19(17)27(31)32)15-9-11-16(12-10-15)22(30)26-24-14-18-6-2-4-8-20(18)28(33)34/h1-14H,(H,25,29)(H,26,30)
InChIK	NLDKTFQBLYHPMA-UHFFFAOYSA-N
TotalMolweight	460.405
Molweight	460.405
MonoisotopicMass	460.113134
CLogP	2.9004
CLogS	-6.746
H Acceptors	12
H Donors	2
TotalSurfaceArea	348.06
Relative PSA	0.38172
PolarSurfaceArea	174.56
Druglikeness	-0.75305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	18
AcidicOxygens	2
StereoCon

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