(Z)-1-anthracen-9-yl-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine
Formula:C26H25N3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-anthracen-9-yl-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-anthracen-9-yl-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine |
| MolecularFormula | C26H25N3Cl |
| Smiles | Clc1c(C[NH+](CC2)CCN2/N=C\c2c(cccc3)c3cc3ccccc23)cccc1 |
| InChI | InChI=1S/C26H24ClN3/c27-26-12-6-3-9-22(26)19-29-13-15-30(16-14-29)28-18-25-23-10-4-1-7-20(23)17-21-8-2-5-11-24(21)25/h1-12,17-18H,13-16,19H2/p+1 |
| InChIK | IFXSCDOYHRYSCK-UHFFFAOYSA-O |
| TotalMolweight | 414.959 |
| Molweight | 414.959 |
| MonoisotopicMass | 414.173699 |
| CLogP | 3.9041 |
| CLogS | -6.604 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 332.34 |
| Relative PSA | 0.098243 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8411 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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