(E)-N-benzyl-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
Formula:C21H15N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide |
| MolecularFormula | C21H15N2O2Cl |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C21H15ClN2O2/c22-18-8-4-7-16(11-18)20-10-9-19(26-20)12-17(13-23)21(25)24-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,24,25) |
| InChIK | ARRDGSKGPUEJIB-UHFFFAOYSA-N |
| TotalMolweight | 362.815 |
| Molweight | 362.815 |
| MonoisotopicMass | 362.082205 |
| CLogP | 4.2426 |
| CLogS | -5.782 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.28 |
| Relative PSA | 0.1816 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -0.28667 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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