(Z,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine
Formula:C22H24N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine |
| MolecularFormula | C22H24N3O |
| Smiles | C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C22H23N3O/c1-2-11-22-19(6-1)7-3-8-20(22)18-24-13-15-25(16-14-24)23-12-4-9-21-10-5-17-26-21/h1-12,17H,13-16,18H2/p+1 |
| InChIK | GCWSUXUUONKCKR-UHFFFAOYSA-O |
| TotalMolweight | 346.453 |
| Molweight | 346.453 |
| MonoisotopicMass | 346.191937 |
| CLogP | 1.3107 |
| CLogS | -4.236 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.51 |
| Relative PSA | 0.15664 |
| PolarSurfaceArea | 33.18 |
| Druglikeness | 3.435 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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