(E)-N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Formula:C20H24N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine is a drug-like molecule.
| MolName | (E)-N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine |
| MolecularFormula | C20H24N2O |
| Smiles | C(CO/N=C(\CC1)/c2c1c1ccccc1cc2)N1CCCCC1 |
| InChI | InChI=1S/C20H24N2O/c1-4-12-22(13-5-1)14-15-23-21-20-11-10-18-17-7-3-2-6-16(17)8-9-19(18)20/h2-3,6-9H,1,4-5,10-15H2 |
| InChIK | LDSNZCUCRWAUQO-UHFFFAOYSA-N |
| TotalMolweight | 308.424 |
| Molweight | 308.424 |
| MonoisotopicMass | 308.188863 |
| CLogP | 4.7755 |
| CLogS | -4.983 |
| H Acceptors | 3 |
| TotalSurfaceArea | 247.97 |
| Relative PSA | 0.10106 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | 3.1798 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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