(E)-1-naphthalen-1-yl-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C21H21N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-1-naphthalen-1-yl-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-naphthalen-1-yl-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C21H21N3 |
| Smiles | C(CN(CC1)/N=C/c2cccc3ccccc23)N1c1ccccc1 |
| InChI | InChI=1S/C21H21N3/c1-2-10-20(11-3-1)23-13-15-24(16-14-23)22-17-19-9-6-8-18-7-4-5-12-21(18)19/h1-12,17H,13-16H2 |
| InChIK | MELLEQOHDHKBDA-UHFFFAOYSA-N |
| TotalMolweight | 315.419 |
| Molweight | 315.419 |
| MonoisotopicMass | 315.173547 |
| CLogP | 4.2905 |
| CLogS | -4.784 |
| H Acceptors | 3 |
| TotalSurfaceArea | 254.52 |
| Relative PSA | 0.073118 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.7261 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-naphthalen-1-yl-N-(4-phenylpiperazin-1-yl)methanimine | 2 - (E)-1-naphthalen-1-yl-N-(4-phenylpiperazin-1-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off