4-phenyl-N'-pyridin-2-ylbutanimidamide
Formula:C15H17N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-phenyl-N'-pyridin-2-ylbutanimidamide is a drug-like molecule.
| MolName | 4-phenyl-N'-pyridin-2-ylbutanimidamide |
| MolecularFormula | C15H17N3 |
| Smiles | N/C(/CCCc1ccccc1)=N\c1ncccc1 |
| InChI | InChI=1S/C15H17N3/c16-14(18-15-11-4-5-12-17-15)10-6-9-13-7-2-1-3-8-13/h1-5,7-8,11-12H,6,9-10H2,(H2,16,17,18) |
| InChIK | GIDPYPYCSAYJBH-UHFFFAOYSA-N |
| TotalMolweight | 239.321 |
| Molweight | 239.321 |
| MonoisotopicMass | 239.142247 |
| CLogP | 2.4448 |
| CLogS | -3.158 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 204.55 |
| Relative PSA | 0.18455 |
| PolarSurfaceArea | 51.27 |
| Druglikeness | -6.3599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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