(Z)-1-(2-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)ethenamine
Formula:C22H16N3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(2-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)ethenamine is a drug-like molecule.
| MolName | (Z)-1-(2-chlorophenyl)-2-(3-phenylquinoxalin-2-yl)ethenamine |
| MolecularFormula | C22H16N3Cl |
| Smiles | N/C(/c(cccc1)c1Cl)=C\c1nc2ccccc2nc1-c1ccccc1 |
| InChI | InChI=1S/C22H16ClN3/c23-17-11-5-4-10-16(17)18(24)14-21-22(15-8-2-1-3-9-15)26-20-13-7-6-12-19(20)25-21/h1-14H,24H2 |
| InChIK | QKKCVKDDXMBDHB-UHFFFAOYSA-N |
| TotalMolweight | 357.843 |
| Molweight | 357.843 |
| MonoisotopicMass | 357.103274 |
| CLogP | 4.6115 |
| CLogS | -5.705 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.55 |
| Relative PSA | 0.13603 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -0.83145 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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