11-Methoxy-12-nitro-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
PubChem CID: 50908785
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| Compound Synonyms | CHEMBL1651049, SCHEMBL12289157 |
|---|---|
| Topological Polar Surface Area | 85.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methoxy-12-nitro-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H10N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLZDROOSVPZQLL-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -6.244 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.863 |
| Compound Name | 11-Methoxy-12-nitro-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.064 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 306.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.062100008695652 |
| Inchi | InChI=1S/C17H10N2O4/c1-23-13-8-12-14-11(16(13)19(21)22)6-7-18-15(14)9-4-2-3-5-10(9)17(12)20/h2-8H,1H3 |
| Smiles | COC1=C(C2=C3C(=C1)C(=O)C4=CC=CC=C4C3=NC=C2)[N+](=O)[O-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sciadotenia Toxifera (Plant) Rel Props:Source_db:cmaup_ingredients