(2E)-2-(phenylhydrazinylidene)chromene-3-carboxamide
Formula:C16H13N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2E)-2-(phenylhydrazinylidene)chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-(phenylhydrazinylidene)chromene-3-carboxamide |
| MolecularFormula | C16H13N3O2 |
| Smiles | NC(C1=Cc(cccc2)c2O/C1=N/Nc1ccccc1)=O |
| InChI | InChI=1S/C16H13N3O2/c17-15(20)13-10-11-6-4-5-9-14(11)21-16(13)19-18-12-7-2-1-3-8-12/h1-10,18H,(H2,17,20) |
| InChIK | ZSISBYIHHORAII-UHFFFAOYSA-N |
| TotalMolweight | 279.298 |
| Molweight | 279.298 |
| MonoisotopicMass | 279.100777 |
| CLogP | 3.5115 |
| CLogS | -3.254 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 214.93 |
| Relative PSA | 0.28512 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.9635 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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