(Z,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
Formula:C20H23N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine |
| MolecularFormula | C20H23N3 |
| Smiles | C(c1ccccc1)N(CC1)CCN1/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H23N3/c1-3-8-19(9-4-1)12-7-13-21-23-16-14-22(15-17-23)18-20-10-5-2-6-11-20/h1-13H,14-18H2 |
| InChIK | IUYKBDHNKXPWCD-UHFFFAOYSA-N |
| TotalMolweight | 305.424 |
| Molweight | 305.424 |
| MonoisotopicMass | 305.189197 |
| CLogP | 3.0373 |
| CLogS | -2.948 |
| H Acceptors | 3 |
| TotalSurfaceArea | 260.18 |
| Relative PSA | 0.071527 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.9996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine | 2 - (Z,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off