(4R)-4-(6-aminopurin-9-yl)-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID: 145971331
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| Compound Synonyms | CHEMBL4214708 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-4-(6-aminopurin-9-yl)-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C15H13N5O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHJWIAXGPZSZCM-SECBINFHSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.709 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.589 |
| Compound Name | (4R)-4-(6-aminopurin-9-yl)-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.107 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.107 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 295.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6260178545454544 |
| Inchi | InChI=1S/C15H13N5O2/c16-14-13-15(18-6-17-14)20(7-19-13)9-4-5-10(21)8-2-1-3-11(22)12(8)9/h1-3,6-7,9,22H,4-5H2,(H2,16,17,18)/t9-/m1/s1 |
| Smiles | C1CC(=O)C2=C([C@@H]1N3C=NC4=C(N=CN=C43)N)C(=CC=C2)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients