5-[3-[2-(Dimethylamino)ethyl]indol-1-yl]-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
PubChem CID: 12990746
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| Topological Polar Surface Area | 47.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[3-[2-(dimethylamino)ethyl]indol-1-yl]-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C24H28N4O |
| Prediction Swissadme | 1.0 |
| Inchi Key | YWSNCWVMQPGFQY-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.94 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.092 |
| Compound Name | 5-[3-[2-(Dimethylamino)ethyl]indol-1-yl]-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 388.226 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.226 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.731003344827587 |
| Inchi | InChI=1S/C24H28N4O/c1-26(2)12-10-16-14-28(21-7-5-4-6-17(16)21)24-22(29)9-8-19-23(24)18-11-13-27(3)15-20(18)25-19/h4-9,14,25,29H,10-13,15H2,1-3H3 |
| Smiles | CN1CCC2=C(C1)NC3=C2C(=C(C=C3)O)N4C=C(C5=CC=CC=C54)CCN(C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients