Compound Information | SONAR Target prediction |
Name: | DIHYDROPTAEROXYLIN |
Unique Identifier: | SPE00100719 |
MolClass: | Checkout models in ver1.5 and ver1.0 |
Molecular Formula: | C15H16O4 |
Molecular Weight: | 244.158 g/mol |
X log p: | 4.714 (online calculus) |
Lipinksi Failures | 0 |
TPSA | 35.53 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptors Count: | 4 |
Rotatable Bond Count: | 0 |
Canonical Smiles: | CC1CCc2c(O)c3C(=O)C=C(C)Oc3cc2OC1 |
Source: | mp 84-87; derivative of Ptaeroxylin (00100514) |
Reference: | Tet Letters 1967: 3459 |