(1R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
PubChem CID: 10199008
Connections displayed (default: 10).
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| Topological Polar Surface Area | 41.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 543.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C16H20N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYWGABLTRMRUIT-ZEPSKSRBSA-N |
| Fcsp3 | 0.5625 |
| Logs | -1.948 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.366 |
| Compound Name | (1R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.158 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.339 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7529480105263153 |
| Inchi | InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11?,12?,16-/m1/s1 |
| Smiles | CC1=CC2CC3=C(C=CC(=O)N3)[C@@]4(C1)C2CCCN4 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phlegmariurus Fordii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients