(4S)-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione
PubChem CID: 162939127
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| Topological Polar Surface Area | 63.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C14H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUGAYDAFAMUMGV-ZETCQYMHSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.77 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.961 |
| Compound Name | (4S)-4-methyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 241.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5084918666666667 |
| Inchi | InChI=1S/C14H11NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1 |
| Smiles | C[C@H]1CC(=O)NC2=C1C(=O)C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hura Crepitans (Plant) Rel Props:Source_db:cmaup_ingredients