(E)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Formula:C21H26N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine is not a drug-like molecule.
| MolName | (E)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine |
| MolecularFormula | C21H26N2O |
| Smiles | C(CN1CCCCC1)CO/N=C(\CC1)/c2c1c1ccccc1cc2 |
| InChI | InChI=1S/C21H26N2O/c1-4-13-23(14-5-1)15-6-16-24-22-21-12-11-19-18-8-3-2-7-17(18)9-10-20(19)21/h2-3,7-10H,1,4-6,11-16H2 |
| InChIK | WAPGEEYMSHHBIY-UHFFFAOYSA-N |
| TotalMolweight | 322.45 |
| Molweight | 322.45 |
| MonoisotopicMass | 322.204513 |
| CLogP | 5.2299 |
| CLogS | -5.253 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.73 |
| Relative PSA | 0.095748 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | 2.9014 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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