N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)quinoxalin-2-amine
Formula:C18H13N4F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)quinoxalin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)quinoxalin-2-amine |
| MolecularFormula | C18H13N4F3 |
| Smiles | FC(c1nc2ccccc2nc1N/N=C\C=C\c1ccccc1)(F)F |
| InChI | InChI=1S/C18H13F3N4/c19-18(20,21)16-17(24-15-11-5-4-10-14(15)23-16)25-22-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,24,25) |
| InChIK | SPEOZYGNQPXOFM-UHFFFAOYSA-N |
| TotalMolweight | 342.323 |
| Molweight | 342.323 |
| MonoisotopicMass | 342.10923 |
| CLogP | 5.5505 |
| CLogS | -4.574 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.32 |
| Relative PSA | 0.17453 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8948 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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