(Z)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
Formula:C22H21N3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine |
| MolecularFormula | C22H21N3Cl2 |
| Smiles | Clc(ccc(/C=N\N1CCN(Cc2cccc3ccccc23)CC1)c1)c1Cl |
| InChI | InChI=1S/C22H21Cl2N3/c23-21-9-8-17(14-22(21)24)15-25-27-12-10-26(11-13-27)16-19-6-3-5-18-4-1-2-7-20(18)19/h1-9,14-15H,10-13,16H2 |
| InChIK | WPNYFRYAGLBHFJ-UHFFFAOYSA-N |
| TotalMolweight | 398.336 |
| Molweight | 398.336 |
| MonoisotopicMass | 397.111251 |
| CLogP | 5.4254 |
| CLogS | -5.734 |
| H Acceptors | 3 |
| TotalSurfaceArea | 299.12 |
| Relative PSA | 0.062216 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 7.1365 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine | 2 - (Z)-1-(3,4-dichlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
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