N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
Formula:C19H12N3O5Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide |
| MolecularFormula | C19H12N3O5Cl3 |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N/NC(COc(cc(cc3)Cl)c3Cl)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C19H12Cl3N3O5/c20-11-1-4-16(22)18(7-11)29-10-19(26)24-23-9-13-3-6-17(30-13)14-8-12(25(27)28)2-5-15(14)21/h1-9H,10H2,(H,24,26) |
| InChIK | XVMUHLTZPCKWCS-UHFFFAOYSA-N |
| TotalMolweight | 468.679 |
| Molweight | 468.679 |
| MonoisotopicMass | 466.984253 |
| CLogP | 4.6118 |
| CLogS | -7.629 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 330.13 |
| Relative PSA | 0.27426 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 1.3799 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide | 2 - N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
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