(11S)-11-chloro-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
PubChem CID: 5316424
Connections displayed (default: 10).
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 65.099 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | PXTPGGRVOOOTDS-YMVQICGQSA-N |
| Fcsp3 | 0.6842105263157895 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Compound Name | (11S)-11-chloro-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 381.134 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 381.134 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 761.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 381.8 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (11S)-11-chloro-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.469407200000001 |
| Inchi | InChI=1S/C19H24ClNO5/c1-21-6-5-17-9-12(22)15(25-3)16(26-4)19(17,21)10-13(20)18(17)8-11(24-2)7-14(18)23/h7,13H,5-6,8-10H2,1-4H3/t13-,17?,18?,19?/m0/s1 |
| Smiles | CN1CCC23C1(C[C@@H](C24CC(=CC4=O)OC)Cl)C(=C(C(=O)C3)OC)OC |
| Xlogp | 0.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H24ClNO5 |
- 1. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients