(E)-3-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
Formula:C15H12N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H12N2OCl2 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)NCc1ccncc1 |
| InChI | InChI=1S/C15H12Cl2N2O/c16-13-2-1-3-14(17)12(13)4-5-15(20)19-10-11-6-8-18-9-7-11/h1-9H,10H2,(H,19,20) |
| InChIK | MMCUTQHZYADONP-UHFFFAOYSA-N |
| TotalMolweight | 307.179 |
| Molweight | 307.179 |
| MonoisotopicMass | 306.032667 |
| CLogP | 3.0568 |
| CLogS | -3.991 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 232.09 |
| Relative PSA | 0.15283 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.16321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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