C28H23ClO4
PubChem CID: 11224925
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| Compound Synonyms | C28H23ClO4 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-chloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),22,25-dodecaene-5,13,16,24-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C28H23ClO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZPHYFJROBBMHQA-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.615 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.188 |
| Compound Name | C28H23ClO4 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 458.128 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 458.128 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 458.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.564316018181818 |
| Inchi | InChI=1S/C28H23ClO4/c29-24-15-21-19(14-28(24)33)7-3-17-6-10-26(31)23(12-17)22-11-16(5-9-25(22)30)1-2-18-4-8-20(21)27(32)13-18/h4-6,8-15,30-33H,1-3,7H2 |
| Smiles | C1CC2=CC(=C(C=C2)C3=CC(=C(C=C3CCC4=CC(=C(C=C4)O)C5=C(C=CC1=C5)O)O)Cl)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Source_db:cmaup_ingredients