(10R,16R,17S)-15-ethenyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8,13-pentaene
PubChem CID: 162818890
Connections displayed (default: 10).
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| Topological Polar Surface Area | 34.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 625.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (10R,16R,17S)-15-ethenyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8,13-pentaene |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C19H18N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | URHXGSWFPKWUHZ-LAPVKLKXSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -4.854 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.541 |
| Compound Name | (10R,16R,17S)-15-ethenyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8,13-pentaene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 290.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.142 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 290.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7147873818181822 |
| Inchi | InChI=1S/C19H18N2O/c1-2-18-10-20-15-8-19(18)12-5-3-4-6-14(12)21-17(19)16-7-13(18)11(15)9-22-16/h2-6,10-11,13,15-16H,1,7-9H2/t11-,13+,15?,16?,18?,19-/m0/s1 |
| Smiles | C=CC12C=NC3C[C@@]14C5=CC=CC=C5N=C4C6C[C@@H]2[C@@H]3CO6 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all