N-[(E)-pyridin-2-ylmethylideneamino]-1H-indole-3-carboxamide
Formula:C15H12N4O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-2-ylmethylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-pyridin-2-ylmethylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C15H12N4O |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C/c1ncccc1 |
| InChI | InChI=1S/C15H12N4O/c20-15(19-18-9-11-5-3-4-8-16-11)13-10-17-14-7-2-1-6-12(13)14/h1-10,17H,(H,19,20) |
| InChIK | QOKXNHAWFNPBCE-UHFFFAOYSA-N |
| TotalMolweight | 264.287 |
| Molweight | 264.287 |
| MonoisotopicMass | 264.101111 |
| CLogP | 2.2941 |
| CLogS | -3.475 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 209.92 |
| Relative PSA | 0.29044 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.4581 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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