(4Z)-4-ethylidene-8-[2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one
PubChem CID: 5317542
Connections displayed (default: 10).
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| Topological Polar Surface Area | 50.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z)-4-ethylidene-8-[2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C20H24N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GYLCVLMCDDODNS-KGVSQERTSA-N |
| Fcsp3 | 0.55 |
| Logs | -4.358 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.577 |
| Compound Name | (4Z)-4-ethylidene-8-[2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 340.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.179 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0705226000000008 |
| Inchi | InChI=1S/C20H24N2O3/c1-3-12-10-22-17-9-20(19(22)23,18-8-13(12)14(17)11-25-18)15-6-4-5-7-16(15)21-24-2/h3-7,13-14,17-18,21H,8-11H2,1-2H3/b12-3+ |
| Smiles | C/C=C/1\CN2C3CC(C2=O)(C4CC1C3CO4)C5=CC=CC=C5NOC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients