N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
Formula:C23H18N6O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide |
| MolecularFormula | C23H18N6O7 |
| Smiles | [O-][N+](c1c(/C=N\NC(COc(cc2)ccc2C(N/N=C\c(cccc2)c2[N+]([O-])=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C23H18N6O7/c30-22(26-24-13-17-5-1-3-7-20(17)28(32)33)15-36-19-11-9-16(10-12-19)23(31)27-25-14-18-6-2-4-8-21(18)29(34)35/h1-14H,15H2,(H,26,30)(H,27,31) |
| InChIK | GJRMFKFQVCZQOO-UHFFFAOYSA-N |
| TotalMolweight | 490.431 |
| Molweight | 490.431 |
| MonoisotopicMass | 490.123699 |
| CLogP | 2.4753 |
| CLogS | -6.526 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 371.82 |
| Relative PSA | 0.38422 |
| PolarSurfaceArea | 183.79 |
| Druglikeness | -0.93238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
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