1-[(E)-(2-benzyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxy-3-morpholin-4-ylpropan-2-ol
Formula:C24H30N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-[(E)-(2-benzyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxy-3-morpholin-4-ylpropan-2-ol is a drug-like molecule.
| MolName | 1-[(E)-(2-benzyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxy-3-morpholin-4-ylpropan-2-ol |
| MolecularFormula | C24H30N2O3 |
| Smiles | OC(CN1CCOCC1)CO/N=C(\C(Cc1ccccc1)CC1)/c2c1cccc2 |
| InChI | InChI=1S/C24H30N2O3/c27-22(17-26-12-14-28-15-13-26)18-29-25-24-21(16-19-6-2-1-3-7-19)11-10-20-8-4-5-9-23(20)24/h1-9,21-22,27H,10-18H2 |
| InChIK | DYRFJDMVJXWCGB-UHFFFAOYSA-N |
| TotalMolweight | 394.513 |
| Molweight | 394.513 |
| MonoisotopicMass | 394.225643 |
| CLogP | 3.9029 |
| CLogS | -3.924 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 314.48 |
| Relative PSA | 0.15314 |
| PolarSurfaceArea | 54.29 |
| Druglikeness | 3.79 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 15 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-[(E)-(2-benzyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxy-3-morpholin-4-ylpropan-2-ol | 2 - 1-[(E)-(2-benzyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxy-3-morpholin-4-ylpropan-2-ol
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