N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
Formula:C23H19N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide |
| MolecularFormula | C23H19N2O2Cl |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\C=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C23H19ClN2O2/c24-22-11-5-4-9-20(22)10-6-16-25-26-23(27)17-28-21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27) |
| InChIK | AVPWZSPRRKKGMO-UHFFFAOYSA-N |
| TotalMolweight | 390.869 |
| Molweight | 390.869 |
| MonoisotopicMass | 390.113505 |
| CLogP | 5.06 |
| CLogS | -6.615 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 312.43 |
| Relative PSA | 0.14726 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2972 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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