(Z,E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-imine
Formula:C20H24N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-imine |
| MolecularFormula | C20H24N3 |
| Smiles | C(c1ccccc1)[NH+](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/p+1 |
| InChIK | IUYKBDHNKXPWCD-UHFFFAOYSA-O |
| TotalMolweight | 306.432 |
| Molweight | 306.432 |
| MonoisotopicMass | 306.197022 |
| CLogP | 0.9276 |
| CLogS | -2.948 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.22 |
| Relative PSA | 0.11906 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.7968 |
| 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 |
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