N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C17H14N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C17H14N4O6 |
| Smiles | [O-][N+](c1c(/C=N\NC(CNC(c(cc2)cc3c2OCO3)=O)=O)cccc1)=O |
| InChI | InChI=1S/C17H14N4O6/c22-16(20-19-8-12-3-1-2-4-13(12)21(24)25)9-18-17(23)11-5-6-14-15(7-11)27-10-26-14/h1-8H,9-10H2,(H,18,23)(H,20,22) |
| InChIK | LEEVOPLUKLPSSX-UHFFFAOYSA-N |
| TotalMolweight | 370.32 |
| Molweight | 370.32 |
| MonoisotopicMass | 370.091336 |
| CLogP | 1.4751 |
| CLogS | -4.659 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 273.89 |
| Relative PSA | 0.40502 |
| PolarSurfaceArea | 134.84 |
| Druglikeness | 0.11253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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