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N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide

Formula:C18H16N8O7 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide is not a drug-like molecule.
MolNameN-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
MolecularFormulaC18H16N8O7
Smiles[O-][N+](c1cccc(/C=N\NC(CN(CC(N/N=C\c2cccc([N+]([O-])=O)c2)=O)N=O)=O)c1)=O
InChIInChI=1S/C18H16N8O7/c27-17(21-19-9-13-3-1-5-15(7-13)25(30)31)11-24(23-29)12-18(28)22-20-10-14-4-2-6-16(8-14)26(32)33/h1-10H,11-12H2,(H,21,27)(H,22,28)
InChIKHXXAQBDEBJBHDG-UHFFFAOYSA-N
TotalMolweight456.374
Molweight456.374
MonoisotopicMass456.114197
CLogP0.393
CLogS-4.456
H Acceptors15
H Donors2
TotalSurfaceArea343.92
Relative PSA0.46802
PolarSurfaceArea207.23
Druglikeness-0.15324
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsaromatic nitro; nitroso; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms33
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond10
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms15
AcidicOxygens2
StereoCon

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