paragracine VI
PubChem CID: 355435
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| Compound Synonyms | paragracine VI |
|---|---|
| Topological Polar Surface Area | 78.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-N,12-N,7-trimethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,6,8,12-hexaene-4,12-diamine |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C12H14N6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZPSUAMLICYVKF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.399 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.015 |
| Compound Name | paragracine VI |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.128 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.128 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 242.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.974517644444445 |
| Inchi | InChI=1S/C12H14N6/c1-6-4-5-7-9(17-11(13-2)15-7)10-8(6)16-12(14-3)18-10/h4-5H,1-3H3,(H2,13,15,17)(H,14,16,18) |
| Smiles | CC1=C2C(=NC(=N2)NC)C3=C(C=C1)NC(=N3)NC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrangea Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients