Aristolamide Ii
PubChem CID: 51346765
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Aristolamide Ii, naphtho(2,1-g)(1,3)benzodioxole-5-carboxamide, naphtho[2,1-g][1,3]benzodioxole-5-carboxamide, CHEMBL1684819 |
|---|---|
| Topological Polar Surface Area | 61.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | naphtho[2,1-g][1,3]benzodioxole-5-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOCSPCCAGNSGTH-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -6.002 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.102 |
| Compound Name | Aristolamide Ii |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 265.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.362161599999999 |
| Inchi | InChI=1S/C16H11NO3/c17-16(18)12-7-13-15(20-8-19-13)14-10-4-2-1-3-9(10)5-6-11(12)14/h1-7H,8H2,(H2,17,18) |
| Smiles | C1OC2=C(O1)C3=C(C=CC4=CC=CC=C43)C(=C2)C(=O)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all