(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide
Formula:C19H14N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide |
| MolecularFormula | C19H14N2O2Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NCc1cnccc1 |
| InChI | InChI=1S/C19H14Cl2N2O2/c20-16-5-1-4-15(19(16)21)17-8-6-14(25-17)7-9-18(24)23-12-13-3-2-10-22-11-13/h1-11H,12H2,(H,23,24) |
| InChIK | HHHPUEOVMSMXLU-UHFFFAOYSA-N |
| TotalMolweight | 373.238 |
| Molweight | 373.238 |
| MonoisotopicMass | 372.043232 |
| CLogP | 3.9957 |
| CLogS | -5.451 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.54 |
| Relative PSA | 0.1761 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 1.5567 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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