(E)-2-cyano-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
Formula:C17H9N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C17H9N3OCl2 |
| Smiles | N#C/C(/C(Nc1cc(Cl)cc(Cl)c1)=O)=C\c(cc1)ccc1C#N |
| InChI | InChI=1S/C17H9Cl2N3O/c18-14-6-15(19)8-16(7-14)22-17(23)13(10-21)5-11-1-3-12(9-20)4-2-11/h1-8H,(H,22,23) |
| InChIK | ATRBGWOSFOAWMO-UHFFFAOYSA-N |
| TotalMolweight | 342.184 |
| Molweight | 342.184 |
| MonoisotopicMass | 341.012266 |
| CLogP | 4.0359 |
| CLogS | -6.015 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.2 |
| Relative PSA | 0.19763 |
| PolarSurfaceArea | 76.68 |
| Druglikeness | -1.7015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide | 2 - (E)-2-cyano-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
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