???kuaisusuoyin???- 1.Compound Report
- 2.Properties
- 3.Structure and Representation
- 4.External Links
- 5.Substance of the Compound
- 6.Linked
- 7.ADMET
Compound Report
| Compound ID | 4 |  |
| CAS Number | ||
| Generic Name | Zonarene | |
| Is Public | false | |
| Synonyms | Zonarene ； Q67880159 | |
| Ceate Date | ||
| Comments | ||
| Refs | ||
| Catalogues |
Properties
| Molecular Weight | Abs Weight | Rotatable Bonds | HB Acceptors | HB Donors | LogP | TPSA | Formal Charge |
| 204.35 | 204.35106 | 1 | 0 | 0 | 4.7252 | 0.0 | 0.0 |
Structure and Representation
| Molecular Formula | C15H24 |
| Iupac Name | (1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene |
| SMILES | C[C@H]1CCC(=C2C1CCC(=C2)C)C(C)C |
| Standard InChI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12,14H,5-8H2,1-4H3/t12-,14?/m0/s1 |
| Standard InChI Key | FIAKMTRUEKZMNO-NBFOIZRFSA-N |
| Metling_Point | |
| Character | |
| Optical_Rotation | |
| Mol Files | Download mol File Download mol2 File |
| 2D Structure Viewer | Click Here to View 2D Structure |
| 3D Structure Viewer | Click Here to View 3D Structure |
External Links
| External Links | chemmapper |
Substance Information
| substance | 1 |
Linked
| ???xiangguanfangji??? | |
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| ???xiangguanzhiwu??? | |
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| ???xiangguanbabiao??? | |
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ADMET
