2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H13N4O7Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H13N4O7Cl |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2[N+]([O-])=O)=O)o1)=O |
| InChI | InChI=1S/C19H13ClN4O7/c20-13-3-7-18(16(9-13)24(28)29)30-11-19(25)22-21-10-15-6-8-17(31-15)12-1-4-14(5-2-12)23(26)27/h1-10H,11H2,(H,22,25) |
| InChIK | SCVVAMINXWFADL-UHFFFAOYSA-N |
| TotalMolweight | 444.786 |
| Molweight | 444.786 |
| MonoisotopicMass | 444.047278 |
| CLogP | 2.4782 |
| CLogS | -6.617 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 322.96 |
| Relative PSA | 0.37454 |
| PolarSurfaceArea | 155.47 |
| Druglikeness | 1.3799 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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