[(Z)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ylideneamino]thiourea
Formula:C14H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ylideneamino]thiourea |
| MolecularFormula | C14H17N3O2S |
| Smiles | NC(N/N=C(\C1C2C3C4CC5C13)/C5C4C21OCCO1)=S |
| InChI | InChI=1S/C14H17N3O2S/c15-13(20)17-16-12-8-4-3-5-7-6(4)9(12)11(7)14(10(5)8)18-1-2-19-14/h4-11H,1-3H2,(H3,15,17,20) |
| InChIK | FBLQWPQHYKVSTR-UHFFFAOYSA-N |
| TotalMolweight | 291.374 |
| Molweight | 291.374 |
| MonoisotopicMass | 291.104147 |
| CLogP | 0.3917 |
| CLogS | -3.26 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 179.85 |
| Relative PSA | 0.47951 |
| PolarSurfaceArea | 100.96 |
| Druglikeness | -4.339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 8 |
| Rotatable Bond | 1 |
| Rings Closures | 6 |
| Small Rings | 15 |
| Sp3Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [(Z)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ylideneamino]thiourea | 2 - [(Z)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off