4-(3,8-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylbutan-2-ol
PubChem CID: 5319215
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| Topological Polar Surface Area | 45.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(3,8-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylbutan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C22H25NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SLEYKBUTYBQPSN-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -6.072 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.111 |
| Compound Name | 4-(3,8-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylbutan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 335.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 335.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 335.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2313714 |
| Inchi | InChI=1S/C22H25NO2/c1-14-5-7-18-17(13-14)15-6-8-19-16(20(15)23-18)9-10-22(4,25-19)12-11-21(2,3)24/h5-10,13,23-24H,11-12H2,1-4H3 |
| Smiles | CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C=CC(O4)(C)CCC(C)(C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients