2-(2-chlorophenoxy)-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide
Formula:C19H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-chlorophenoxy)-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-chlorophenoxy)-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide |
| MolecularFormula | C19H16N3O2Cl |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C19H16ClN3O2/c20-17-10-4-5-11-18(17)25-14-19(24)22-21-13-16-9-6-12-23(16)15-7-2-1-3-8-15/h1-13H,14H2,(H,22,24) |
| InChIK | AOLPWNXKSKKNNS-UHFFFAOYSA-N |
| TotalMolweight | 353.808 |
| Molweight | 353.808 |
| MonoisotopicMass | 353.093104 |
| CLogP | 3.6214 |
| CLogS | -6.574 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.13 |
| Relative PSA | 0.1922 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 5.3348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(2-chlorophenoxy)-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide | 2 - 2-(2-chlorophenoxy)-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide
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