N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
Formula:C16H9N5O2ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine |
| MolecularFormula | C16H9N5O2ClF3 |
| Smiles | [O-][N+](c(cc(/C=N\Nc1nc2ccccc2nc1C(F)(F)F)cc1)c1Cl)=O |
| InChI | InChI=1S/C16H9ClF3N5O2/c17-10-6-5-9(7-13(10)25(26)27)8-21-24-15-14(16(18,19)20)22-11-3-1-2-4-12(11)23-15/h1-8H,(H,23,24) |
| InChIK | MXTQWHYNTQWXDD-UHFFFAOYSA-N |
| TotalMolweight | 395.727 |
| Molweight | 395.727 |
| MonoisotopicMass | 395.039686 |
| CLogP | 5.2166 |
| CLogS | -5.478 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 269.91 |
| Relative PSA | 0.27909 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -10.294 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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