N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
Formula:C17H9N4OCl2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide |
| MolecularFormula | C17H9N4OCl2F3 |
| Smiles | O=C(c1nc2ccccc2nc1C(F)(F)F)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H9Cl2F3N4O/c18-10-6-5-9(11(19)7-10)8-23-26-16(27)14-15(17(20,21)22)25-13-4-2-1-3-12(13)24-14/h1-8H,(H,26,27) |
| InChIK | QBJPYDUOZHEZIC-UHFFFAOYSA-N |
| TotalMolweight | 413.185 |
| Molweight | 413.185 |
| MonoisotopicMass | 412.010549 |
| CLogP | 4.8075 |
| CLogS | -5.825 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.41 |
| Relative PSA | 0.2074 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | -2.7185 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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