(Z)-1-(3-bromophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
Formula:C18H19N3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-bromophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(3-bromophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine |
| MolecularFormula | C18H19N3BrCl |
| Smiles | Clc1ccc(CN(CC2)CCN2/N=C\c2cccc(Br)c2)cc1 |
| InChI | InChI=1S/C18H19BrClN3/c19-17-3-1-2-16(12-17)13-21-23-10-8-22(9-11-23)14-15-4-6-18(20)7-5-15/h1-7,12-13H,8-11,14H2 |
| InChIK | XRGFCAYXCJGNQJ-UHFFFAOYSA-N |
| TotalMolweight | 392.727 |
| Molweight | 392.727 |
| MonoisotopicMass | 391.045085 |
| CLogP | 4.3502 |
| CLogS | -4.226 |
| H Acceptors | 3 |
| TotalSurfaceArea | 267.73 |
| Relative PSA | 0.06951 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 5.3465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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