10-Methylphenazin-2(10H)-one
PubChem CID: 14360019
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| Compound Synonyms | 63508-56-5, 10-Methylphenazin-2(10H)-one, 2(10H)-Phenazinone, 10-methyl-, DTXSID90559335, 10-METHYL-2,10-DIHYDROPHENAZIN-2-ONE, 10-METHYLPHENAZIN-2-ONE, DTXCID60510115, phenazine, 2,10-dihydro-10-methyl-2-oxo- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC3CCCCC3CC2C1 |
| Np Classifier Class | Phenazine alkaloids |
| Deep Smiles | O=cccc-cc6)nC)ccn6)cccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | OC1CCC2NC3CCCCC3NC2C1 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-methylphenazin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10N2O |
| Scaffold Graph Node Bond Level | O=c1ccc2nc3ccccc3[nH]c-2c1 |
| Inchi Key | HAQCALIJITZJCC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 10-methyl-2-(10h)-phenazinone |
| Esol Class | Soluble |
| Functional Groups | c=O, cn(c)C, cnc |
| Compound Name | 10-Methylphenazin-2(10H)-one |
| Exact Mass | 210.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 210.23 |
| 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/C13H10N2O/c1-15-12-5-3-2-4-10(12)14-11-7-6-9(16)8-13(11)15/h2-8H,1H3 |
| Smiles | CN1C2=CC=CC=C2N=C3C1=CC(=O)C=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1329670