N-(3-chlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine
Formula:C20H14N3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine is not a drug-like molecule.
| MolName | N-(3-chlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine |
| MolecularFormula | C20H14N3ClS |
| Smiles | Clc1cc(Nc2nc3ccccc3nc2/C=C/c2cccs2)ccc1 |
| InChI | InChI=1S/C20H14ClN3S/c21-14-5-3-6-15(13-14)22-20-19(11-10-16-7-4-12-25-16)23-17-8-1-2-9-18(17)24-20/h1-13H,(H,22,24) |
| InChIK | HGJWAZSWBLAKAT-UHFFFAOYSA-N |
| TotalMolweight | 363.871 |
| Molweight | 363.871 |
| MonoisotopicMass | 363.059694 |
| CLogP | 5.7126 |
| CLogS | -6.431 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.22 |
| Relative PSA | 0.19605 |
| PolarSurfaceArea | 66.05 |
| Druglikeness | 2.0117 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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