N-[(Z)-2H-chromen-3-ylmethylideneamino]pyridine-4-carboxamide
Formula:C16H13N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-2H-chromen-3-ylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2H-chromen-3-ylmethylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C16H13N3O2 |
| Smiles | O=C(c1ccncc1)N/N=C\C1=Cc(cccc2)c2OC1 |
| InChI | InChI=1S/C16H13N3O2/c20-16(13-5-7-17-8-6-13)19-18-10-12-9-14-3-1-2-4-15(14)21-11-12/h1-10H,11H2,(H,19,20) |
| InChIK | FDBZLPRSGDWVEK-UHFFFAOYSA-N |
| TotalMolweight | 279.298 |
| Molweight | 279.298 |
| MonoisotopicMass | 279.100777 |
| CLogP | 1.9726 |
| CLogS | -3.206 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.72 |
| Relative PSA | 0.25816 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.4341 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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