1,5-dimethyl-2,4-dihydro-1H-2,7-naphthyridin-3-one
PubChem CID: 5317597
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| Topological Polar Surface Area | 42.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethyl-2,4-dihydro-1H-2,7-naphthyridin-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C10H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NUJFYQDHTBBYKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.909 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.82 |
| Compound Name | 1,5-dimethyl-2,4-dihydro-1H-2,7-naphthyridin-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 176.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7339962615384614 |
| Inchi | InChI=1S/C10H12N2O/c1-6-4-11-5-9-7(2)12-10(13)3-8(6)9/h4-5,7H,3H2,1-2H3,(H,12,13) |
| Smiles | CC1C2=C(CC(=O)N1)C(=CN=C2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthus Ilicifolius (Plant) Rel Props:Source_db:cmaup_ingredients