CID 11277543
PubChem CID: 11277543
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3344049 |
|---|---|
| Topological Polar Surface Area | 29.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C12H15N2O+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | FAGBILYNJCYFKA-UHFFFAOYSA-O |
| Fcsp3 | 0.4166666666666667 |
| Logs | -3.771 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.707 |
| Compound Name | CID 11277543 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 203.118 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 203.118 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 203.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2074429999999996 |
| Inchi | InChI=1S/C12H14N2O/c1-9-6-11-10(12(15)7-9)8-13-4-2-3-5-14(11)13/h6-8H,2-5H2,1H3/p+1 |
| Smiles | CC1=CC2=C(C=[N+]3N2CCCC3)C(=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nigella Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all