2-Amino-7-methoxy-3h-phenoxazin-3-one
PubChem CID: 5251220
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| Compound Synonyms | 2-amino-7-methoxy-3h-phenoxazin-3-one, 80783-02-4, SCHEMBL3764052 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 73.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2CC3CCCCC3CC2C1 |
| Np Classifier Class | Phenoxazine alkaloids |
| Deep Smiles | COcccccc6)oc-cn6)ccc=O)c6))N |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Benzoxazines |
| Scaffold Graph Node Level | OC1CCC2NC3CCCCC3OC2C1 |
| Classyfire Subclass | Phenoxazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-7-methoxyphenoxazin-3-one |
| Class | Benzoxazines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Phenoxazines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10N2O3 |
| Scaffold Graph Node Bond Level | O=c1ccc2nc3ccccc3oc-2c1 |
| Inchi Key | DDHPPCVMQOXUFB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-amino-7-methoxy-phenoxazin-3-one |
| Esol Class | Soluble |
| Functional Groups | c=O, cN, cOC, cnc, coc |
| Compound Name | 2-Amino-7-methoxy-3h-phenoxazin-3-one |
| Kingdom | Organic compounds |
| Exact Mass | 242.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 242.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10N2O3/c1-17-7-2-3-9-12(4-7)18-13-6-11(16)8(14)5-10(13)15-9/h2-6H,14H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)N=C3C=C(C(=O)C=C3O2)N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenoxazines |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18161567