(E,E)-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
Formula:C19H21N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E,E)-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (E,E)-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine |
| MolecularFormula | C19H21N3 |
| Smiles | C(CN(CC1)/N=C/C=C/c2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C19H21N3/c1-3-8-18(9-4-1)10-7-13-20-22-16-14-21(15-17-22)19-11-5-2-6-12-19/h1-13H,14-17H2 |
| InChIK | DRZKQZGSCHQABC-UHFFFAOYSA-N |
| TotalMolweight | 291.397 |
| Molweight | 291.397 |
| MonoisotopicMass | 291.173547 |
| CLogP | 3.1144 |
| CLogS | -3.47 |
| H Acceptors | 3 |
| TotalSurfaceArea | 246.42 |
| Relative PSA | 0.075521 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.5358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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