Njyjkdxlwubpow-uhfffaoysa-
PubChem CID: 50936832
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| Compound Synonyms | NJYJKDXLWUBPOW-UHFFFAOYSA-, InChI=1/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-11-3-1-2-4-12(11)18-13(15)7-8-17-16/h1-8,18-19H,9H2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCC3CC4CCCCC4C32)C1 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | OCcccco5)cncccc6cccccc6[nH]9 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCNC(C3CCCO3)C12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-(5H-pyrido[4,3-b]indol-1-yl)furan-2-yl]methanol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12N2O2 |
| Scaffold Graph Node Bond Level | c1coc(-c2nccc3[nH]c4ccccc4c23)c1 |
| Inchi Key | NJYJKDXLWUBPOW-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | isoperlolyrine |
| Esol Class | Soluble |
| Functional Groups | CO, c[nH]c, cnc, coc |
| Compound Name | Njyjkdxlwubpow-uhfffaoysa- |
| Exact Mass | 264.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 264.28 |
| 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 |
| Inchi | InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-11-3-1-2-4-12(11)18-13(15)7-8-17-16/h1-8,18-19H,9H2 |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)C=CN=C3C4=CC=C(O4)CO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Gloriosa Superba (Plant) Rel Props:Reference:ISBN:9788171360536