N-[(E)-(3-oxoinden-1-ylidene)amino]pyridine-4-carboxamide
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(3-oxoinden-1-ylidene)amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(3-oxoinden-1-ylidene)amino]pyridine-4-carboxamide |
| MolecularFormula | C15H11N3O2 |
| Smiles | O=C(c1ccncc1)N/N=C(\C1)/c(cccc2)c2C1=O |
| InChI | InChI=1S/C15H11N3O2/c19-14-9-13(11-3-1-2-4-12(11)14)17-18-15(20)10-5-7-16-8-6-10/h1-8H,9H2,(H,18,20) |
| InChIK | ACNJCDNDCYDXFY-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 1.9806 |
| CLogS | -3.786 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 201.97 |
| Relative PSA | 0.29717 |
| PolarSurfaceArea | 71.42 |
| Druglikeness | 3.5305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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