N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

Formula:C11H9N7O5 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is not a drug-like molecule.

MolName	N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
MolecularFormula	C11H9N7O5
Smiles	[O-][N+](c1nn(CC(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)cn1)=O
InChI	InChI=1S/C11H9N7O5/c19-10(6-16-7-12-11(15-16)18(22)23)14-13-5-8-1-3-9(4-2-8)17(20)21/h1-5,7H,6H2,(H,14,19)
InChIK	YIHQBVOIHRQCQU-UHFFFAOYSA-N
TotalMolweight	319.236
Molweight	319.236
MonoisotopicMass	319.066518
CLogP	-0.8389
CLogS	-3.523
H Acceptors	12
H Donors	1
TotalSurfaceArea	234.81
Relative PSA	0.53516
PolarSurfaceArea	163.81
Druglikeness	1.3516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon

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