(Z)-1-(10-chloroanthracen-9-yl)-N-piperidin-1-ylmethanimine
Formula:C20H19N2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(10-chloroanthracen-9-yl)-N-piperidin-1-ylmethanimine is not a drug-like molecule.
| MolName | (Z)-1-(10-chloroanthracen-9-yl)-N-piperidin-1-ylmethanimine |
| MolecularFormula | C20H19N2Cl |
| Smiles | Clc1c(cccc2)c2c(/C=N\N2CCCCC2)c2ccccc12 |
| InChI | InChI=1S/C20H19ClN2/c21-20-17-10-4-2-8-15(17)19(16-9-3-5-11-18(16)20)14-22-23-12-6-1-7-13-23/h2-5,8-11,14H,1,6-7,12-13H2 |
| InChIK | IHZXYFBZGNIELF-UHFFFAOYSA-N |
| TotalMolweight | 322.838 |
| Molweight | 322.838 |
| MonoisotopicMass | 322.123675 |
| CLogP | 5.6503 |
| CLogS | -6.668 |
| H Acceptors | 2 |
| TotalSurfaceArea | 248.24 |
| Relative PSA | 0.060667 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 2.1704 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| StereoCon |
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