(E)-N-(2-morpholin-4-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Formula:C19H22N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(2-morpholin-4-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine |
| MolecularFormula | C19H22N2O2 |
| Smiles | C(CO/N=C(\CC1)/c2c1c1ccccc1cc2)N1CCOCC1 |
| InChI | InChI=1S/C19H22N2O2/c1-2-4-16-15(3-1)5-6-18-17(16)7-8-19(18)20-23-14-11-21-9-12-22-13-10-21/h1-6H,7-14H2 |
| InChIK | NXPPDNAORQDJIT-UHFFFAOYSA-N |
| TotalMolweight | 310.396 |
| Molweight | 310.396 |
| MonoisotopicMass | 310.168128 |
| CLogP | 3.6115 |
| CLogS | -4.094 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.21 |
| Relative PSA | 0.14356 |
| PolarSurfaceArea | 34.06 |
| Druglikeness | 2.3378 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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