N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyridine-4-carboxamide
Formula:C15H13N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C15H13N3O |
| Smiles | O=C(c1ccncc1)N/N=C(/CC1)\c2c1cccc2 |
| InChI | InChI=1S/C15H13N3O/c19-15(12-7-9-16-10-8-12)18-17-14-6-5-11-3-1-2-4-13(11)14/h1-4,7-10H,5-6H2,(H,18,19) |
| InChIK | MZUWVZXEXPMKCO-UHFFFAOYSA-N |
| TotalMolweight | 251.288 |
| Molweight | 251.288 |
| MonoisotopicMass | 251.105862 |
| CLogP | 2.5314 |
| CLogS | -3.605 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.98 |
| Relative PSA | 0.2373 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.3726 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyridine-4-carboxamide
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