N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide
Formula:C17H15N7O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide |
| MolecularFormula | C17H15N7O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN(C2=C3CCC2)c2ncnn2C3=O)=O)cc1)=O |
| InChI | InChI=1S/C17H15N7O4/c25-15(21-19-8-11-4-6-12(7-5-11)24(27)28)9-22-14-3-1-2-13(14)16(26)23-17(22)18-10-20-23/h4-8,10H,1-3,9H2,(H,21,25) |
| InChIK | RZNRLSKXNHVUTD-UHFFFAOYSA-N |
| TotalMolweight | 381.351 |
| Molweight | 381.351 |
| MonoisotopicMass | 381.118553 |
| CLogP | 1.4106 |
| CLogS | -4.89 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 276.39 |
| Relative PSA | 0.40461 |
| PolarSurfaceArea | 138.3 |
| Druglikeness | 0.75352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide
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