Chlorantene F
PubChem CID: 25147592
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| Compound Synonyms | chlorantene F, CHEMBL457444, (5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5H-1-benzofuran-4,7-dione, 1079243-75-6 |
|---|---|
| Topological Polar Surface Area | 47.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 437.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5H-1-benzofuran-4,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RLWUPZZWFFGPKU-ABAIWWIYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.173 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.405 |
| Compound Name | Chlorantene F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6646535555555553 |
| Inchi | InChI=1S/C15H16O3/c1-6-15(5)11(8(2)3)12(16)10-9(4)7-18-13(10)14(15)17/h6-7,11H,1-2H2,3-5H3/t11-,15+/m1/s1 |
| Smiles | CC1=COC2=C1C(=O)[C@H]([C@](C2=O)(C)C=C)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chloranthus Serratus (Plant) Rel Props:Source_db:cmaup_ingredients