(E)-2-(2-chlorobenzoyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-enenitrile
Formula:C15H9N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2-chlorobenzoyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(2-chlorobenzoyl)-3-[(5-chloropyridin-2-yl)amino]prop-2-enenitrile |
| MolecularFormula | C15H9N3OCl2 |
| Smiles | N#C/C(/C(c(cccc1)c1Cl)=O)=C\Nc(cc1)ncc1Cl |
| InChI | InChI=1S/C15H9Cl2N3O/c16-11-5-6-14(20-9-11)19-8-10(7-18)15(21)12-3-1-2-4-13(12)17/h1-6,8-9H,(H,19,20) |
| InChIK | CFKOVURJPNKJAV-UHFFFAOYSA-N |
| TotalMolweight | 318.162 |
| Molweight | 318.162 |
| MonoisotopicMass | 317.012266 |
| CLogP | 2.889 |
| CLogS | -5.26 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.25 |
| Relative PSA | 0.20579 |
| PolarSurfaceArea | 65.78 |
| Druglikeness | -3.5266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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