2-hydroxy-5-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
Formula:C19H12N3O5F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-hydroxy-5-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-5-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H12N3O5F3 |
| Smiles | [O-][N+](c(cc1)cc(C(N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)=O)c1O)=O |
| InChI | InChI=1S/C19H12F3N3O5/c20-19(21,22)12-3-1-2-11(8-12)17-7-5-14(30-17)10-23-24-18(27)15-9-13(25(28)29)4-6-16(15)26/h1-10,26H,(H,24,27) |
| InChIK | YDQQDCCQNVHZDN-UHFFFAOYSA-N |
| TotalMolweight | 419.314 |
| Molweight | 419.314 |
| MonoisotopicMass | 419.072906 |
| CLogP | 3.7215 |
| CLogS | -6.123 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 295.92 |
| Relative PSA | 0.31644 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | -5.8147 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-hydroxy-5-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide | 2 - 2-hydroxy-5-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
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