1,1'-Methylenedi(phenazin-2(10H)-one)
PubChem CID: 136341706
Connections displayed (default: 10).
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| Compound Synonyms | 73749-96-9, SCHEMBL3721368, DTXSID80701346, di(2-hydroxy-1-phenazinyl)methane, 1,1'-Methylenedi(phenazin-2(10H)-one) |
|---|---|
| Topological Polar Surface Area | 92.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 583.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(2-hydroxyphenazin-1-yl)methyl]phenazin-2-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Is Pains | False |
| Molecular Formula | C25H16N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UEMRXUPBPMNPIE-UHFFFAOYSA-N |
| Fcsp3 | 0.04 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 1,1'-Methylenedi(phenazin-2(10H)-one) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.127 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 404.127 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 404.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.756646896774193 |
| Inchi | InChI=1S/C25H16N4O2/c30-22-11-9-20-24(28-18-7-3-1-5-16(18)26-20)14(22)13-15-23(31)12-10-21-25(15)29-19-8-4-2-6-17(19)27-21/h1-12,30-31H,13H2 |
| Smiles | C1=CC=C2C(=C1)N=C3C=CC(=C(C3=N2)CC4=C(C=CC5=NC6=CC=CC=C6N=C54)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients