Pyrrolo(2,1-b)quinazoline-3,7-diol, 1,2,3,9-tetrahydro-, (R)-
PubChem CID: 6452262
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| Compound Synonyms | Pyrrolo(2,1-b)quinazoline-3,7-diol, 1,2,3,9-tetrahydro-, (R)-, 5081-51-6, (3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-3,7-diol, DTXSID10198841, (3R)-1,2,3,9-tetrahydropyrrolo(2,1-b)quinazoline-3,7-diol, DTXCID70121332 |
|---|---|
| Topological Polar Surface Area | 56.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-3,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C11H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WEFMOGRHGUPGMA-SNVBAGLBSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -1.414 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.534 |
| Compound Name | Pyrrolo(2,1-b)quinazoline-3,7-diol, 1,2,3,9-tetrahydro-, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 204.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4589197999999999 |
| Inchi | InChI=1S/C11H12N2O2/c14-8-1-2-9-7(5-8)6-13-4-3-10(15)11(13)12-9/h1-2,5,10,14-15H,3-4,6H2/t10-/m1/s1 |
| Smiles | C1CN2CC3=C(C=CC(=C3)O)N=C2[C@@H]1O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Sida Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all