(19E)-19-ethylidene-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
PubChem CID: 5320029
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| Topological Polar Surface Area | 45.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 611.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (19E)-19-ethylidene-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | True |
| Molecular Formula | C20H20N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZNARHUZRAGMMF-OIXVIMQBSA-N |
| Fcsp3 | 0.35 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (19E)-19-ethylidene-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.152 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 320.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 320.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4206303999999994 |
| Inchi | InChI=1S/C20H20N2O2/c1-2-12-10-24-11-16-15(12)9-18-19-14(7-8-22(18)20(16)23)13-5-3-4-6-17(13)21-19/h2-6,11,15,18,21H,7-10H2,1H3/b12-2- |
| Smiles | C/C=C\1/COC=C2C1CC3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nauclea Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients