2-N,6-N-bis[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide

Formula:C21H13N7O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N,6-N-bis[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide is not a drug-like molecule.

MolName	2-N,6-N-bis[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide
MolecularFormula	C21H13N7O6Cl2
Smiles	[O-][N+](c(cc(/C=N\NC(c1cccc(C(N/N=C\c(cc2)cc([N+]([O-])=O)c2Cl)=O)n1)=O)cc1)c1Cl)=O
InChI	InChI=1S/C21H13Cl2N7O6/c22-14-6-4-12(8-18(14)29(33)34)10-24-27-20(31)16-2-1-3-17(26-16)21(32)28-25-11-13-5-7-15(23)19(9-13)30(35)36/h1-11H,(H,27,31)(H,28,32)
InChIK	CIKHZOWSIMHHCC-UHFFFAOYSA-N
TotalMolweight	530.283
Molweight	530.283
MonoisotopicMass	529.030437
CLogP	3.2195
CLogS	-7.471
H Acceptors	13
H Donors	2
TotalSurfaceArea	377.66
Relative PSA	0.38085
PolarSurfaceArea	187.45
Druglikeness	-0.73119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	17
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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