(E)-7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine
Formula:C16H21N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine is a drug-like molecule.
| MolName | (E)-7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine |
| MolecularFormula | C16H21N2O2Cl |
| Smiles | Clc(cc1)cc2c1OCCC/C2=N\OCCN1CCCC1 |
| InChI | InChI=1S/C16H21ClN2O2/c17-13-5-6-16-14(12-13)15(4-3-10-20-16)18-21-11-9-19-7-1-2-8-19/h5-6,12H,1-4,7-11H2 |
| InChIK | BFHRHYZSDQWMHK-UHFFFAOYSA-N |
| TotalMolweight | 308.808 |
| Molweight | 308.808 |
| MonoisotopicMass | 308.129155 |
| CLogP | 3.9401 |
| CLogS | -3.928 |
| H Acceptors | 4 |
| TotalSurfaceArea | 238.79 |
| Relative PSA | 0.14682 |
| PolarSurfaceArea | 34.06 |
| Druglikeness | 1.1422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine | 2 - (E)-7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off