(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(3-phenylmethoxyphenyl)methanimine
Formula:C29H29N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(3-phenylmethoxyphenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(3-phenylmethoxyphenyl)methanimine |
| MolecularFormula | C29H29N3O |
| Smiles | C(c1cccc2ccccc12)N(CC1)CCN1/N=C\c1cccc(OCc2ccccc2)c1 |
| InChI | InChI=1S/C29H29N3O/c1-2-8-24(9-3-1)23-33-28-14-6-10-25(20-28)21-30-32-18-16-31(17-19-32)22-27-13-7-12-26-11-4-5-15-29(26)27/h1-15,20-21H,16-19,22-23H2 |
| InChIK | ADDABRJJDSQJPT-UHFFFAOYSA-N |
| TotalMolweight | 435.569 |
| Molweight | 435.569 |
| MonoisotopicMass | 435.231062 |
| CLogP | 5.5615 |
| CLogS | -5.603 |
| H Acceptors | 4 |
| TotalSurfaceArea | 351.8 |
| Relative PSA | 0.081325 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 6.4186 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(3-phenylmethoxyphenyl)methanimine | 2 - (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(3-phenylmethoxyphenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off