Glycoborinine
PubChem CID: 10446329
Connections displayed (default: 10).
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| Compound Synonyms | glycoborinine, 233279-39-5, 3,3,10-Trimethyl-7H-pyrano[3,2-g]carbazol-9-ol, 3,3,10-trimethyl-7H-pyrano(3,2-g)carbazol-9-ol, CHEMBL506671, HY-N8361, IJA27939, AKOS040758770, CS-0143565 |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KGHHJTRYOSFBOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.749 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.134 |
| Compound Name | Glycoborinine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7515970380952375 |
| Inchi | InChI=1S/C18H17NO2/c1-10-8-12-14(9-15(10)20)19-13-4-5-16-11(17(12)13)6-7-18(2,3)21-16/h4-9,19-20H,1-3H3 |
| Smiles | CC1=CC2=C(C=C1O)NC3=C2C4=C(C=C3)OC(C=C4)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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