Basic information
- CAS
1969-74-0- Standard SMILES
O=C1C(c2ccccc2)=[N+]([O-])c2ccccc21- InChIKey
WXFLHMJSSLDOPA-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Overview
inhibitor of mitochondrial oxidative phosphorylation; structure
Names & identifiers
- Preferred name
- 3H-Indol-3-one, 2-phenyl-, 1-oxide
- IUPAC
- 1-oxido-2-phenylindol-1-ium-3-one
- English name
- 2-phenylisatogen
- Molecular formula
- C14H9NO2
- Molecular weight
- 223.23
Names & synonyms
2-Phenylisatogen1969-74-03H-INDOL-3-ONE, 2-PHENYL-, 1-OXIDET7NXE620EKDTXSID10173355RefChem:89093DTXCID90958463-Oxo-2-phenyl-3H-indole 1-oxide1-oxido-2-phenylindol-1-ium-3-oneMFCD00957935MLS001241052NSC-79235
Show more names
2-Phenyl-3-oxo-3H-indole 1-oxide
NSC6261051-oxido-2-phenyl-indol-1-ium-3-oneNSC-626105SMR0008411972-Phenyl-3H-indol-3-one 1-oxide3H-Indol-3-one,2-phenyl-, 1-oxidecid_74787CHEMBL567967
Database identifiers
- CAS
1969-74-0- PubChem CID
- 74787
- DTXSID
DTXSID10173355- ChEMBL
CHEMBL567967- UNII
- T7NXE620EK
- Nikkaji
- J104.534B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- FDA UNII
- 7 NXE620EK · T7NXE620EK
Chemistry & industry
Suppliers4 total
韶远科技(上海)有限公司4000665055 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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