1-[3-[(6-chloropyridazin-3-yl)amino]propyl]pyrrolidin-2-one
Formula:C11H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[3-[(6-chloropyridazin-3-yl)amino]propyl]pyrrolidin-2-one is a drug-like molecule.
| MolName | 1-[3-[(6-chloropyridazin-3-yl)amino]propyl]pyrrolidin-2-one |
| MolecularFormula | C11H15N4OCl |
| Smiles | O=C1N(CCCNc(cc2)nnc2Cl)CCC1 |
| InChI | InChI=1S/C11H15ClN4O/c12-9-4-5-10(15-14-9)13-6-2-8-16-7-1-3-11(16)17/h4-5H,1-3,6-8H2,(H,13,15) |
| InChIK | HBRVSPBVWHCXKK-UHFFFAOYSA-N |
| TotalMolweight | 254.72 |
| Molweight | 254.72 |
| MonoisotopicMass | 254.093438 |
| CLogP | 0.9106 |
| CLogS | -1.815 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 194.77 |
| Relative PSA | 0.25666 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | 3.5996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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