4-nitro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Formula:C15H10N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide is not a drug-like molecule.

MolName	4-nitro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
MolecularFormula	C15H10N4O7
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C\c(cc1OCOc1c1)c1[N+]([O-])=O)=O)=O
InChI	InChI=1S/C15H10N4O7/c20-15(9-1-3-11(4-2-9)18(21)22)17-16-7-10-5-13-14(26-8-25-13)6-12(10)19(23)24/h1-7H,8H2,(H,17,20)
InChIK	LACDSVXPSHRLJP-UHFFFAOYSA-N
TotalMolweight	358.265
Molweight	358.265
MonoisotopicMass	358.054951
CLogP	1.4698
CLogS	-5.352
H Acceptors	11
H Donors	1
TotalSurfaceArea	254.59
Relative PSA	0.45897
PolarSurfaceArea	151.56
Druglikeness	-0.92153
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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