3-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
Formula:C19H12N3O4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H12N3O4F3 |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)=O)c1)=O |
| InChI | InChI=1S/C19H12F3N3O4/c20-19(21,22)14-5-1-3-12(9-14)17-8-7-16(29-17)11-23-24-18(26)13-4-2-6-15(10-13)25(27)28/h1-11H,(H,24,26) |
| InChIK | QOMDFAVPOXRYRH-UHFFFAOYSA-N |
| TotalMolweight | 403.315 |
| Molweight | 403.315 |
| MonoisotopicMass | 403.077991 |
| CLogP | 4.0672 |
| CLogS | -6.419 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.57 |
| Relative PSA | 0.27814 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -5.81 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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