(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine
Formula:C28H28N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine |
| MolecularFormula | C28H28N3O |
| Smiles | C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1cccc(Oc2ccccc2)c1 |
| InChI | InChI=1S/C28H27N3O/c1-2-12-26(13-3-1)32-27-14-6-8-23(20-27)21-29-31-18-16-30(17-19-31)22-25-11-7-10-24-9-4-5-15-28(24)25/h1-15,20-21H,16-19,22H2/p+1 |
| InChIK | BZNNICKWRSXYFY-UHFFFAOYSA-O |
| TotalMolweight | 422.55 |
| Molweight | 422.55 |
| MonoisotopicMass | 422.223237 |
| CLogP | 3.4993 |
| CLogS | -6.559 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 352.08 |
| Relative PSA | 0.12114 |
| PolarSurfaceArea | 29.27 |
| Druglikeness | 3.5777 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine | 2 - (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine
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