N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
Formula:C16H10N4BrF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine |
| MolecularFormula | C16H10N4BrF3 |
| Smiles | FC(c1nc2ccccc2nc1N/N=C\c(cc1)ccc1Br)(F)F |
| InChI | InChI=1S/C16H10BrF3N4/c17-11-7-5-10(6-8-11)9-21-24-15-14(16(18,19)20)22-12-3-1-2-4-13(12)23-15/h1-9H,(H,23,24) |
| InChIK | NQHBHSHBBHSGIJ-UHFFFAOYSA-N |
| TotalMolweight | 395.181 |
| Molweight | 395.181 |
| MonoisotopicMass | 394.004091 |
| CLogP | 6.2574 |
| CLogS | -5.116 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.45 |
| Relative PSA | 0.18004 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -6.5575 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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