N-[(Z)-2,1,3-benzoxadiazol-4-ylmethylideneamino]-3,5-dinitrobenzamide

Formula:C14H8N6O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-2,1,3-benzoxadiazol-4-ylmethylideneamino]-3,5-dinitrobenzamide is not a drug-like molecule.

MolName	N-[(Z)-2,1,3-benzoxadiazol-4-ylmethylideneamino]-3,5-dinitrobenzamide
MolecularFormula	C14H8N6O6
Smiles	[O-][N+](c1cc(C(N/N=C\c2cccc3nonc23)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C14H8N6O6/c21-14(9-4-10(19(22)23)6-11(5-9)20(24)25)16-15-7-8-2-1-3-12-13(8)18-26-17-12/h1-7H,(H,16,21)
InChIK	SQBLMWQIPLCBSE-UHFFFAOYSA-N
TotalMolweight	356.254
Molweight	356.254
MonoisotopicMass	356.050534
CLogP	1.3091
CLogS	-4.28
H Acceptors	12
H Donors	1
TotalSurfaceArea	256.14
Relative PSA	0.51886
PolarSurfaceArea	172.02
Druglikeness	0.71259
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	5
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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