[(2Z)-2-hydroxyiminocyclooctyl] N-cyclohexylcarbamodithioate
Formula:C15H26N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2Z)-2-hydroxyiminocyclooctyl] N-cyclohexylcarbamodithioate is a drug-like molecule.
| MolName | [(2Z)-2-hydroxyiminocyclooctyl] N-cyclohexylcarbamodithioate |
| MolecularFormula | C15H26N2OS2 |
| Smiles | O/N=C(/CCCCCC1)\C1SC(NC1CCCCC1)=S |
| InChI | InChI=1S/C15H26N2OS2/c18-17-13-10-6-1-2-7-11-14(13)20-15(19)16-12-8-4-3-5-9-12/h12,14,18H,1-11H2,(H,16,19)/b17-13-/t14-/m0/s1 |
| InChIK | RSDHNGVQLBFNLT-ZSRMJVKVSA-N |
| TotalMolweight | 314.516 |
| Molweight | 314.516 |
| MonoisotopicMass | 314.148653 |
| CLogP | 4.7555 |
| CLogS | -5.075 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 253.84 |
| Relative PSA | 0.3213 |
| PolarSurfaceArea | 102.01 |
| Druglikeness | -3.2958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Sp3Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [(2Z)-2-hydroxyiminocyclooctyl] N-cyclohexylcarbamodithioate | 2 - [(2Z)-2-hydroxyiminocyclooctyl] N-cyclohexylcarbamodithioate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off