9-Ethoxyaristololactam
PubChem CID: 195368
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| Compound Synonyms | 9-Ethoxyaristololactam, 122739-09-7, Aristololactam, 9-ethoxy, DTXSID20153688, 12-ethoxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one, 9-Ethoxy-aristololactam, DTXCID5076179, CHEBI:229040, Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 7-ethoxy-8-methoxy- |
|---|---|
| Topological Polar Surface Area | 66.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12-ethoxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YFTVKUKOLZCKAN-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.411 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.627 |
| Compound Name | 9-Ethoxyaristololactam |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.095 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 337.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7623522 |
| Inchi | InChI=1S/C19H15NO5/c1-3-23-18-13-9(5-4-6-11(13)22-2)15-14-10(19(21)20-16(14)18)7-12-17(15)25-8-24-12/h4-7H,3,8H2,1-2H3,(H,20,21) |
| Smiles | CCOC1=C2C3=C(C4=C1C(=CC=C4)OC)C5=C(C=C3C(=O)N2)OCO5 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients