2-[4-(nitrosomethylidene)pyridin-1-yl]-N,N-bis(prop-2-enyl)acetamide
Formula:C14H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-(nitrosomethylidene)pyridin-1-yl]-N,N-bis(prop-2-enyl)acetamide is a drug-like molecule.
| MolName | 2-[4-(nitrosomethylidene)pyridin-1-yl]-N,N-bis(prop-2-enyl)acetamide |
| MolecularFormula | C14H17N3O2 |
| Smiles | C=CCN(CC=C)C(CN(C=C1)C=CC1=CN=O)=O |
| InChI | InChI=1S/C14H17N3O2/c1-3-7-17(8-4-2)14(18)12-16-9-5-13(6-10-16)11-15-19/h3-6,9-11H,1-2,7-8,12H2 |
| InChIK | HHCLWIXAYGRQFW-UHFFFAOYSA-N |
| TotalMolweight | 259.308 |
| Molweight | 259.308 |
| MonoisotopicMass | 259.132077 |
| CLogP | 0.1485 |
| CLogS | -1.614 |
| H Acceptors | 5 |
| TotalSurfaceArea | 224.22 |
| Relative PSA | 0.19931 |
| PolarSurfaceArea | 52.98 |
| Druglikeness | 0.056292 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | nitroso |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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