N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
Formula:C20H13N4O6F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H13N4O6F3 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(Cc(ccc(C(F)(F)F)c2)c2[N+]([O-])=O)=O)o1)=O |
| InChI | InChI=1S/C20H13F3N4O6/c21-20(22,23)13-6-5-12(17(10-13)27(31)32)9-19(28)25-24-11-14-7-8-18(33-14)15-3-1-2-4-16(15)26(29)30/h1-8,10-11H,9H2,(H,25,28) |
| InChIK | QJSSSCOBTJNFPJ-UHFFFAOYSA-N |
| TotalMolweight | 462.339 |
| Molweight | 462.339 |
| MonoisotopicMass | 462.07872 |
| CLogP | 3.1437 |
| CLogS | -6.844 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 327 |
| Relative PSA | 0.33933 |
| PolarSurfaceArea | 146.24 |
| Druglikeness | -5.7974 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| 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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