(Z,Z)-2-bromo-N-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
Formula:C19H19N3BrCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z,Z)-2-bromo-N-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-2-bromo-N-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C19H19N3BrCl |
| Smiles | Clc(cc1)ccc1N(CC1)CCN1/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C19H19BrClN3/c20-17(14-16-4-2-1-3-5-16)15-22-24-12-10-23(11-13-24)19-8-6-18(21)7-9-19/h1-9,14-15H,10-13H2 |
| InChIK | BFRNUMFIQILYLO-UHFFFAOYSA-N |
| TotalMolweight | 404.738 |
| Molweight | 404.738 |
| MonoisotopicMass | 403.045085 |
| CLogP | 4.313 |
| CLogS | -5.039 |
| H Acceptors | 3 |
| TotalSurfaceArea | 278.68 |
| Relative PSA | 0.066779 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 1.3165 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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