N-[(E)-pyridin-2-ylmethylideneamino]-9H-xanthene-9-carboxamide
Formula:C20H15N3O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-2-ylmethylideneamino]-9H-xanthene-9-carboxamide is a drug-like molecule.
| MolName | N-[(E)-pyridin-2-ylmethylideneamino]-9H-xanthene-9-carboxamide |
| MolecularFormula | C20H15N3O2 |
| Smiles | O=C(C1c(cccc2)c2Oc2c1cccc2)N/N=C/c1ncccc1 |
| InChI | InChI=1S/C20H15N3O2/c24-20(23-22-13-14-7-5-6-12-21-14)19-15-8-1-3-10-17(15)25-18-11-4-2-9-16(18)19/h1-13,19H,(H,23,24) |
| InChIK | PVDXFRMPNZDGKC-UHFFFAOYSA-N |
| TotalMolweight | 329.358 |
| Molweight | 329.358 |
| MonoisotopicMass | 329.116427 |
| CLogP | 3.3524 |
| CLogS | -5.275 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.51 |
| Relative PSA | 0.22388 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 5.0477 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-pyridin-2-ylmethylideneamino]-9H-xanthene-9-carboxamide | 2 - N-[(E)-pyridin-2-ylmethylideneamino]-9H-xanthene-9-carboxamide
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