(1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-3-piperidin-1-ylpropanimidate
Formula:C26H24N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-3-piperidin-1-ylpropanimidate is a drug-like molecule.
| MolName | (1E)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-3-piperidin-1-ylpropanimidate |
| MolecularFormula | C26H24N4O |
| Smiles | [O-]/C(/CCN1CCCCC1)=N/[n+]1c(-c2cccc3cccc-4c23)c4nc2ccccc12 |
| InChI | InChI=1S/C26H24N4O/c31-23(14-17-29-15-4-1-5-16-29)28-30-22-13-3-2-12-21(22)27-25-19-10-6-8-18-9-7-11-20(24(18)19)26(25)30/h2-3,6-13H,1,4-5,14-17H2 |
| InChIK | FEMUYTGDADTASP-UHFFFAOYSA-N |
| TotalMolweight | 408.504 |
| Molweight | 408.504 |
| MonoisotopicMass | 408.195011 |
| CLogP | 1.7243 |
| CLogS | -8.11 |
| H Acceptors | 5 |
| TotalSurfaceArea | 308.4 |
| Relative PSA | 0.13966 |
| PolarSurfaceArea | 55.43 |
| Druglikeness | 1.7067 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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