(E)-N-(2-pyrrolidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Formula:C19H22N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(E)-N-(2-pyrrolidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine is a drug-like molecule.
| MolName | (E)-N-(2-pyrrolidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine |
| MolecularFormula | C19H22N2O |
| Smiles | C(CO/N=C(\CC1)/c2c1c1ccccc1cc2)N1CCCC1 |
| InChI | InChI=1S/C19H22N2O/c1-2-6-16-15(5-1)7-8-18-17(16)9-10-19(18)20-22-14-13-21-11-3-4-12-21/h1-2,5-8H,3-4,9-14H2 |
| InChIK | FHXZDAOWBUINGT-UHFFFAOYSA-N |
| TotalMolweight | 294.397 |
| Molweight | 294.397 |
| MonoisotopicMass | 294.173213 |
| CLogP | 4.4335 |
| CLogS | -4.713 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.21 |
| Relative PSA | 0.107 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | 4.0761 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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