2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C16H15N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C16H15N7O2 |
| Smiles | O=C(CN(C1=C2CCC1)c1ncnn1C2=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H15N7O2/c24-14(21-19-8-11-3-2-6-17-7-11)9-22-13-5-1-4-12(13)15(25)23-16(22)18-10-20-23/h2-3,6-8,10H,1,4-5,9H2,(H,21,24) |
| InChIK | QISWIJDHLILFRF-UHFFFAOYSA-N |
| TotalMolweight | 337.342 |
| Molweight | 337.342 |
| MonoisotopicMass | 337.128723 |
| CLogP | 1.3313 |
| CLogS | -3.635 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 251.48 |
| Relative PSA | 0.36735 |
| PolarSurfaceArea | 105.37 |
| Druglikeness | 5.8153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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