(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-phenylmethanimine
Formula:C22H24N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-phenylmethanimine |
| MolecularFormula | C22H24N3 |
| Smiles | C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H23N3/c1-2-7-19(8-3-1)17-23-25-15-13-24(14-16-25)18-21-11-6-10-20-9-4-5-12-22(20)21/h1-12,17H,13-16,18H2/p+1 |
| InChIK | JRRTXRPXBWINQL-UHFFFAOYSA-O |
| TotalMolweight | 330.454 |
| Molweight | 330.454 |
| MonoisotopicMass | 330.197022 |
| CLogP | 2.1037 |
| CLogS | -4.262 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 282.32 |
| Relative PSA | 0.11565 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8498 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| 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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