(4aS,10aS)-2,2-dimethyl-4a,10a-dihydrobenzo[g]chromene-5,10-dione
PubChem CID: 163018299
Connections displayed (default: 10).
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| Topological Polar Surface Area | 43.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aS,10aS)-2,2-dimethyl-4a,10a-dihydrobenzo[g]chromene-5,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KSTZCKLHDQOIJZ-RISCZKNCSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.548 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.361 |
| Compound Name | (4aS,10aS)-2,2-dimethyl-4a,10a-dihydrobenzo[g]chromene-5,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9243654666666665 |
| Inchi | InChI=1S/C15H14O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8,11,14H,1-2H3/t11-,14+/m1/s1 |
| Smiles | CC1(C=C[C@H]2[C@H](O1)C(=O)C3=CC=CC=C3C2=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients