(E)-3-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
Formula:C22H16N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C22H16N2O3Cl2 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)cc(Cl)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H16Cl2N2O3/c23-18-6-3-15(4-7-18)14-29-21-8-5-16(11-20(21)24)10-17(12-25)22(27)26-13-19-2-1-9-28-19/h1-11H,13-14H2,(H,26,27) |
| InChIK | WCUJHKDBKFHSEY-UHFFFAOYSA-N |
| TotalMolweight | 427.286 |
| Molweight | 427.286 |
| MonoisotopicMass | 426.053797 |
| CLogP | 4.4465 |
| CLogS | -6.081 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 326.46 |
| Relative PSA | 0.19044 |
| PolarSurfaceArea | 75.26 |
| Druglikeness | -1.5851 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
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