N-cyclohexyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide
Formula:C14H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-cyclohexyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-cyclohexyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide |
| MolecularFormula | C14H19N3O2 |
| Smiles | O=C(CN(C=C1)C=CC1=CN=O)NC1CCCCC1 |
| InChI | InChI=1S/C14H19N3O2/c18-14(16-13-4-2-1-3-5-13)11-17-8-6-12(7-9-17)10-15-19/h6-10,13H,1-5,11H2,(H,16,18) |
| InChIK | PKXQFQSBWJOOFJ-UHFFFAOYSA-N |
| TotalMolweight | 261.324 |
| Molweight | 261.324 |
| MonoisotopicMass | 261.147727 |
| CLogP | 0.0873 |
| CLogS | -2.532 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 216.58 |
| Relative PSA | 0.24287 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -1.8202 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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