(E)-2-cyano-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
Formula:C15H10N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H10N2O2Cl2 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H10Cl2N2O2/c16-13-4-3-10(7-14(13)17)6-11(8-18)15(20)19-9-12-2-1-5-21-12/h1-7H,9H2,(H,19,20) |
| InChIK | PPKSHIGPZKAWPV-UHFFFAOYSA-N |
| TotalMolweight | 321.162 |
| Molweight | 321.162 |
| MonoisotopicMass | 320.011932 |
| CLogP | 3.0984 |
| CLogS | -4.74 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.94 |
| Relative PSA | 0.21474 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -1.4689 |
| 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 | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
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