(2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide
Formula:C17H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide |
| MolecularFormula | C17H13N3O3 |
| Smiles | NC(C1=Cc(cccc2)c2O/C1=N/NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C17H13N3O3/c18-15(21)13-10-12-8-4-5-9-14(12)23-17(13)20-19-16(22)11-6-2-1-3-7-11/h1-10H,(H2,18,21)(H,19,22) |
| InChIK | ZHGRZOWQGUSCBU-UHFFFAOYSA-N |
| TotalMolweight | 307.308 |
| Molweight | 307.308 |
| MonoisotopicMass | 307.095692 |
| CLogP | 1.8722 |
| CLogS | -3.826 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.68 |
| Relative PSA | 0.31941 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 4.7179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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