N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
Formula:C23H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide |
| MolecularFormula | C23H19N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(COc(cc2)ccc2-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C23H19N3O4/c27-23(25-24-16-4-5-18-8-12-21(13-9-18)26(28)29)17-30-22-14-10-20(11-15-22)19-6-2-1-3-7-19/h1-16H,17H2,(H,25,27) |
| InChIK | RNZHAHHJIFTKTJ-UHFFFAOYSA-N |
| TotalMolweight | 401.421 |
| Molweight | 401.421 |
| MonoisotopicMass | 401.137557 |
| CLogP | 3.5324 |
| CLogS | -6.339 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 320.68 |
| Relative PSA | 0.23834 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.83669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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