1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]azepane
Formula:C15H18N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]azepane is a drug-like molecule.
| MolName | 1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]azepane |
| MolecularFormula | C15H18N5Cl |
| Smiles | Clc(cc1)ccc1-n1nnnc1/C=C/N1CCCCCC1 |
| InChI | InChI=1S/C15H18ClN5/c16-13-5-7-14(8-6-13)21-15(17-18-19-21)9-12-20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11H2 |
| InChIK | ZTCAWPIOONCWCL-UHFFFAOYSA-N |
| TotalMolweight | 303.796 |
| Molweight | 303.796 |
| MonoisotopicMass | 303.125072 |
| CLogP | 2.4642 |
| CLogS | -3.374 |
| H Acceptors | 5 |
| TotalSurfaceArea | 239.78 |
| Relative PSA | 0.18071 |
| PolarSurfaceArea | 46.84 |
| Druglikeness | -2.026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]azepane | 2 - 1-[(E)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]azepane
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off