(Z)-1-anthracen-9-yl-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C25H23N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-anthracen-9-yl-N-(4-phenylpiperazin-1-yl)methanimine is not a drug-like molecule.
| MolName | (Z)-1-anthracen-9-yl-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C25H23N3 |
| Smiles | C(CN(CC1)/N=C\c2c(cccc3)c3cc3ccccc23)N1c1ccccc1 |
| InChI | InChI=1S/C25H23N3/c1-2-10-22(11-3-1)27-14-16-28(17-15-27)26-19-25-23-12-6-4-8-20(23)18-21-9-5-7-13-24(21)25/h1-13,18-19H,14-17H2 |
| InChIK | NGXSRRWYWAUCMG-UHFFFAOYSA-N |
| TotalMolweight | 365.479 |
| Molweight | 365.479 |
| MonoisotopicMass | 365.189197 |
| CLogP | 5.4849 |
| CLogS | -6.39 |
| H Acceptors | 3 |
| TotalSurfaceArea | 289.12 |
| Relative PSA | 0.064368 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.7261 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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