N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine
Formula:C21H15N4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine |
| MolecularFormula | C21H15N4ClS |
| Smiles | Clc1ccc(/C=N\Nc2nc3ccccc3nc2/C=C/c2cccs2)cc1 |
| InChI | InChI=1S/C21H15ClN4S/c22-16-9-7-15(8-10-16)14-23-26-21-20(12-11-17-4-3-13-27-17)24-18-5-1-2-6-19(18)25-21/h1-14H,(H,25,26) |
| InChIK | GIFYJXNBBNDPBE-UHFFFAOYSA-N |
| TotalMolweight | 390.897 |
| Molweight | 390.897 |
| MonoisotopicMass | 390.070593 |
| CLogP | 7.3635 |
| CLogS | -6.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.98 |
| Relative PSA | 0.21831 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 4.1113 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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