(E)-3-(3-chlorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
Formula:C21H16NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide |
| MolecularFormula | C21H16NO2Cl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)Nc(cccc1)c1Oc1ccccc1 |
| InChI | InChI=1S/C21H16ClNO2/c22-17-8-6-7-16(15-17)13-14-21(24)23-19-11-4-5-12-20(19)25-18-9-2-1-3-10-18/h1-15H,(H,23,24) |
| InChIK | FUVUGTIDXDCXMT-UHFFFAOYSA-N |
| TotalMolweight | 349.816 |
| Molweight | 349.816 |
| MonoisotopicMass | 349.086956 |
| CLogP | 5.1379 |
| CLogS | -6.531 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.91 |
| Relative PSA | 0.12595 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.37294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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