3-phenyl-N'-pyridin-2-ylpropanimidamide
Formula:C14H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N'-pyridin-2-ylpropanimidamide is a drug-like molecule.
| MolName | 3-phenyl-N'-pyridin-2-ylpropanimidamide |
| MolecularFormula | C14H15N3 |
| Smiles | N/C(/CCc1ccccc1)=N\c1ncccc1 |
| InChI | InChI=1S/C14H15N3/c15-13(17-14-8-4-5-11-16-14)10-9-12-6-2-1-3-7-12/h1-8,11H,9-10H2,(H2,15,16,17) |
| InChIK | TVVKFRFVPVWLJT-UHFFFAOYSA-N |
| TotalMolweight | 225.294 |
| Molweight | 225.294 |
| MonoisotopicMass | 225.126597 |
| CLogP | 1.9904 |
| CLogS | -2.888 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 190.79 |
| Relative PSA | 0.19786 |
| PolarSurfaceArea | 51.27 |
| Druglikeness | -2.3699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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