(Z)-3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile
Formula:C17H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile |
| MolecularFormula | C17H13N5O |
| Smiles | Nc(cccc1)c1N/C=C(/C1=Nc(cccc2)c2NC1=O)\C#N |
| InChI | InChI=1S/C17H13N5O/c18-9-11(10-20-13-6-2-1-5-12(13)19)16-17(23)22-15-8-4-3-7-14(15)21-16/h1-8,10,20H,19H2,(H,22,23) |
| InChIK | OGYVELXENMIZSV-UHFFFAOYSA-N |
| TotalMolweight | 303.324 |
| Molweight | 303.324 |
| MonoisotopicMass | 303.11201 |
| CLogP | 0.5803 |
| CLogS | -3.846 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 238.1 |
| Relative PSA | 0.32045 |
| PolarSurfaceArea | 103.3 |
| Druglikeness | -1.0318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; 1,2-diamino-aryl |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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