7-Hydroxy-2-oxindole-3-acetic acid
PubChem CID: 18398273
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| Compound Synonyms | 7-hydroxy-2-oxindole-3-acetic acid, SCHEMBL7651400 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 86.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC2CCCCC2C1 |
| Np Classifier Class | Simple oxindole alkaloids |
| Deep Smiles | OC=O)CCC=O)Ncc5cccc6O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC1CC2CCCCC2N1 |
| Classyfire Subclass | Indolyl carboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetic acid |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H9NO4 |
| Scaffold Graph Node Bond Level | O=C1Cc2ccccc2N1 |
| Inchi Key | RBODBEHKWJZUBG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 7-hydroxy-2-oxindole-3-acetic acid |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, cNC(C)=O, cO |
| Compound Name | 7-Hydroxy-2-oxindole-3-acetic acid |
| Exact Mass | 207.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 207.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 207.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H9NO4/c12-7-3-1-2-5-6(4-8(13)14)10(15)11-9(5)7/h1-3,6,12H,4H2,(H,11,15)(H,13,14) |
| Smiles | C1=CC2=C(C(=C1)O)NC(=O)C2CC(=O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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