(Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
Formula:C24H26N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C24H26N3 |
| Smiles | C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C24H25N3/c1-2-8-21(9-3-1)10-7-15-25-27-18-16-26(17-19-27)20-23-13-6-12-22-11-4-5-14-24(22)23/h1-15H,16-20H2/p+1 |
| InChIK | GDUPRQHWKMSZPF-UHFFFAOYSA-O |
| TotalMolweight | 356.491 |
| Molweight | 356.491 |
| MonoisotopicMass | 356.212672 |
| CLogP | 2.122 |
| CLogS | -4.554 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 308.82 |
| Relative PSA | 0.10573 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.7968 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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