N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridine-2-carboxamide
Formula:C17H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C17H17N3O |
| Smiles | O=C(c1ncccc1)N/N=C(/CCCC1)\c2c1cccc2 |
| InChI | InChI=1S/C17H17N3O/c21-17(16-11-5-6-12-18-16)20-19-15-10-4-2-8-13-7-1-3-9-14(13)15/h1,3,5-7,9,11-12H,2,4,8,10H2,(H,20,21) |
| InChIK | CBLAPUAQTZPNPT-UHFFFAOYSA-N |
| TotalMolweight | 279.342 |
| Molweight | 279.342 |
| MonoisotopicMass | 279.137162 |
| CLogP | 3.2694 |
| CLogS | -4.169 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.5 |
| Relative PSA | 0.20834 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -1.8374 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridine-2-carboxamide | 2 - N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyridine-2-carboxamide
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