Pharmakon1600-01504027
PubChem CID: 6708720
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| Compound Synonyms | Spectrum_001465, SpecPlus_000618, Spectrum2_000470, Spectrum3_001611, Spectrum4_001834, Spectrum5_000627, BSPBio_003241, KBioGR_002534, KBioSS_001945, DivK1c_006714, SPECTRUM1504027, SPBio_000580, SCHEMBL8309064, CHEBI:95183, KBio1_001658, KBio2_001945, KBio2_004513, KBio2_007081, KBio3_002461, HMS1922B03, Pharmakon1600-01504027, LSM-6464, CCG-39978, NSC758665, NSC-758665, SDCCGMLS-0066826.P001, NCGC00178191-01, VU0243453-3, BRD-A55579717-001-02-4, BRD-A55579717-001-03-2, BRD-A55579717-001-04-0, Q27166989 |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9R)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C11H14N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ANJTVLIZGCUXLD-VEDVMXKPSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | 0.572 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.701 |
| Compound Name | Pharmakon1600-01504027 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.111 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.136768057142857 |
| Inchi | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9?/m1/s1 |
| Smiles | C1[C@@H]2CNCC1C3=CC=CC(=O)N3C2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients