2-(4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Formula:C19H15N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H15N4O4Cl |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(COc(cc2)ccc2Cl)=O)ccc1)=O |
| InChI | InChI=1S/C19H15ClN4O4/c20-14-3-9-18(10-4-14)28-13-19(25)22-21-12-17-2-1-11-23(17)15-5-7-16(8-6-15)24(26)27/h1-12H,13H2,(H,22,25) |
| InChIK | BTQMRWNNJKMHKQ-UHFFFAOYSA-N |
| TotalMolweight | 398.805 |
| Molweight | 398.805 |
| MonoisotopicMass | 398.078183 |
| CLogP | 2.6998 |
| CLogS | -7.034 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 298.8 |
| Relative PSA | 0.27878 |
| PolarSurfaceArea | 101.44 |
| Druglikeness | 0.26806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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