N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C19H13N3O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C19H13N3O5Cl2 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1)=O)=O |
| InChI | InChI=1S/C19H13Cl2N3O5/c20-12-5-7-14(15(21)9-12)17-8-6-13(29-17)10-22-23-19(25)11-28-18-4-2-1-3-16(18)24(26)27/h1-10H,11H2,(H,23,25) |
| InChIK | TXAIJMRGEUBSSM-UHFFFAOYSA-N |
| TotalMolweight | 434.234 |
| Molweight | 434.234 |
| MonoisotopicMass | 433.023226 |
| CLogP | 4.0058 |
| CLogS | -6.893 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 314.71 |
| Relative PSA | 0.28769 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 1.3799 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide | 2 - N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
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