14-Amino-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
PubChem CID: 53350138
Connections displayed (default: 10).
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| Topological Polar Surface Area | 81.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 568.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-amino-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C19H16N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DECOIJXMXXMADL-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -6.997 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.59 |
| Compound Name | 14-Amino-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.111 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2300514 |
| Inchi | InChI=1S/C19H16N2O4/c1-21-11-8-9-6-4-5-7-10(9)12-13(11)14(16(22)19(21)23)15(20)18(25-3)17(12)24-2/h4-8H,20H2,1-3H3 |
| Smiles | CN1C2=CC3=CC=CC=C3C4=C2C(=C(C(=C4OC)OC)N)C(=O)C1=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients