(E)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine
Formula:C16H21N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine is a drug-like molecule.
| MolName | (E)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine |
| MolecularFormula | C16H21N2O3Cl |
| Smiles | Clc(cc1)cc2c1OCCC/C2=N\OCCN1CCOCC1 |
| InChI | InChI=1S/C16H21ClN2O3/c17-13-3-4-16-14(12-13)15(2-1-8-21-16)18-22-11-7-19-5-9-20-10-6-19/h3-4,12H,1-2,5-11H2 |
| InChIK | JWLQQHFQZVYQNW-UHFFFAOYSA-N |
| TotalMolweight | 324.807 |
| Molweight | 324.807 |
| MonoisotopicMass | 324.12407 |
| CLogP | 3.1181 |
| CLogS | -3.309 |
| H Acceptors | 5 |
| TotalSurfaceArea | 248.79 |
| Relative PSA | 0.18112 |
| PolarSurfaceArea | 43.29 |
| Druglikeness | -0.45594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine | 2 - (E)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine
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