N-[(E)-benzylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine
Formula:C21H16N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(E)-benzylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-benzylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine |
| MolecularFormula | C21H16N4S |
| Smiles | C(c1cccs1)=C/c1nc2ccccc2nc1N/N=C/c1ccccc1 |
| InChI | InChI=1S/C21H16N4S/c1-2-7-16(8-3-1)15-22-25-21-20(13-12-17-9-6-14-26-17)23-18-10-4-5-11-19(18)24-21/h1-15H,(H,24,25) |
| InChIK | HFPIHVMHLFZGNG-UHFFFAOYSA-N |
| TotalMolweight | 356.452 |
| Molweight | 356.452 |
| MonoisotopicMass | 356.109566 |
| CLogP | 6.7575 |
| CLogS | -5.65 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.56 |
| Relative PSA | 0.23018 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 4.0899 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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