3-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
Formula:C18H16N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide is a drug-like molecule.
| MolName | 3-(2,4-dichlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide |
| MolecularFormula | C18H16N2O2Cl2 |
| Smiles | O=C(CCOc(ccc(Cl)c1)c1Cl)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H16Cl2N2O2/c19-15-8-9-17(16(20)13-15)24-12-10-18(23)22-21-11-4-7-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,22,23) |
| InChIK | SISDQVBFNRTGLS-UHFFFAOYSA-N |
| TotalMolweight | 363.243 |
| Molweight | 363.243 |
| MonoisotopicMass | 362.058882 |
| CLogP | 4.4612 |
| CLogS | -5.535 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.85 |
| Relative PSA | 0.16324 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 3.933 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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