Ojvcxvgfrrzmrp-uhfffaoysa-
PubChem CID: 14191996
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| Compound Synonyms | CHEMBL4096402, OJVCXVGFRRZMRP-UHFFFAOYSA-, InChI=1/C16H14N2O2/c1-20-10-5-6-11-12-7-8-18-14(3-2-4-15(18)19)16(12)17-13(11)9-10/h2-6,9,17H,7-8H2,1H3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2C1CCC1C3CCCCC3CC21 |
| Np Classifier Class | Corynanthe type |
| Deep Smiles | COcccccc6)[nH]c-ccccc=O)n6CCc%13%10 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC1CCCC2C3NC4CCCCC4C3CCN12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-methoxy-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H14N2O2 |
| Scaffold Graph Node Bond Level | O=c1cccc2n1CCc1c-2[nH]c2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJVCXVGFRRZMRP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1875 |
| Logs | -3.82 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.921 |
| Synonyms | harmalanine |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, c[nH]c, cn(c)C |
| Compound Name | Ojvcxvgfrrzmrp-uhfffaoysa- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.04646 |
| Inchi | InChI=1S/C16H14N2O2/c1-20-10-5-6-11-12-7-8-18-14(3-2-4-15(18)19)16(12)17-13(11)9-10/h2-6,9,17H,7-8H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C4=CC=CC(=O)N4CC3 |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients