Heuvgodfdjkjtp-wcqyabfasa-
PubChem CID: 21573064
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| Compound Synonyms | HEUVGODFDJKJTP-WCQYABFASA-, InChI=1/C15H17NO4/c1-15(2)13(18)11(17)10-12(20-15)8-6-4-5-7-9(8)16(3)14(10)19/h4-7,11,13,17-18H,1-3H3/t11-,13+/m0/s1 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4S)-3,4-dihydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C15H17NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEUVGODFDJKJTP-WCQYABFASA-N |
| Fcsp3 | 0.4 |
| Logs | -3.444 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.535 |
| Compound Name | Heuvgodfdjkjtp-wcqyabfasa- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 275.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 275.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0130848 |
| Inchi | InChI=1S/C15H17NO4/c1-15(2)13(18)11(17)10-12(20-15)8-6-4-5-7-9(8)16(3)14(10)19/h4-7,11,13,17-18H,1-3H3/t11-,13+/m0/s1 |
| Smiles | CC1([C@@H]([C@H](C2=C(O1)C3=CC=CC=C3N(C2=O)C)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients