(E)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide
Formula:C23H16N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide |
| MolecularFormula | C23H16N2O3Cl2 |
| Smiles | N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H16Cl2N2O3/c24-18-4-3-16(22(25)12-18)14-30-21-9-1-15(2-10-21)11-17(13-26)23(29)27-19-5-7-20(28)8-6-19/h1-12,28H,14H2,(H,27,29) |
| InChIK | YDUZDWBLHPMURT-UHFFFAOYSA-N |
| TotalMolweight | 439.297 |
| Molweight | 439.297 |
| MonoisotopicMass | 438.053797 |
| CLogP | 5.2027 |
| CLogS | -6.287 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 329.36 |
| Relative PSA | 0.18569 |
| PolarSurfaceArea | 82.35 |
| Druglikeness | -1.8852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide | 2 - (E)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide
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