2-[4-(nitrosomethylidene)pyridin-1-yl]-N-(phenylcarbamoyl)acetamide
Formula:C15H14N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-(nitrosomethylidene)pyridin-1-yl]-N-(phenylcarbamoyl)acetamide is a drug-like molecule.
| MolName | 2-[4-(nitrosomethylidene)pyridin-1-yl]-N-(phenylcarbamoyl)acetamide |
| MolecularFormula | C15H14N4O3 |
| Smiles | O=C(CN(C=C1)C=CC1=CN=O)NC(Nc1ccccc1)=O |
| InChI | InChI=1S/C15H14N4O3/c20-14(11-19-8-6-12(7-9-19)10-16-22)18-15(21)17-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,18,20,21) |
| InChIK | XRRCHDFCSLANSR-UHFFFAOYSA-N |
| TotalMolweight | 298.301 |
| Molweight | 298.301 |
| MonoisotopicMass | 298.106591 |
| CLogP | 0.026 |
| CLogS | -2.926 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 237.75 |
| Relative PSA | 0.32429 |
| PolarSurfaceArea | 90.87 |
| Druglikeness | 2.9478 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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