3-chloro-N-(5-chloropyridin-2-yl)-4-methylbenzamide
Formula:C13H10N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-(5-chloropyridin-2-yl)-4-methylbenzamide is a drug-like molecule.
| MolName | 3-chloro-N-(5-chloropyridin-2-yl)-4-methylbenzamide |
| MolecularFormula | C13H10N2OCl2 |
| Smiles | Cc(ccc(C(Nc(cc1)ncc1Cl)=O)c1)c1Cl |
| InChI | InChI=1S/C13H10Cl2N2O/c1-8-2-3-9(6-11(8)15)13(18)17-12-5-4-10(14)7-16-12/h2-7H,1H3,(H,16,17,18) |
| InChIK | QRZIWWKUUNUFKU-UHFFFAOYSA-N |
| TotalMolweight | 281.141 |
| Molweight | 281.141 |
| MonoisotopicMass | 280.017017 |
| CLogP | 3.7135 |
| CLogS | -4.674 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 204.09 |
| Relative PSA | 0.1738 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.73805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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