2-(5-phenyltetrazol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C15H13N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-phenyltetrazol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-phenyltetrazol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C15H13N7O |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C15H13N7O/c23-14(18-17-10-12-5-4-8-16-9-12)11-22-20-15(19-21-22)13-6-2-1-3-7-13/h1-10H,11H2,(H,18,23) |
| InChIK | COHWIHQBISQEKZ-UHFFFAOYSA-N |
| TotalMolweight | 307.316 |
| Molweight | 307.316 |
| MonoisotopicMass | 307.118158 |
| CLogP | 1.512 |
| CLogS | -2.994 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 244.75 |
| Relative PSA | 0.35448 |
| PolarSurfaceArea | 97.95 |
| Druglikeness | 1.0385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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