Basic information
- CAS
111797-49-0- Standard SMILES
O=S(=O)(O)c1cccc2cccc(N=Nc3c(O)ccc4ccccc34)c12- InChIKey
FJIZXJXESRCCGG-UHFFFAOYSA-N- Molecular formula
- C20H14N2O4S
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.06742811
Names & identifiers
- Preferred name
- 8-[(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
- IUPAC
- 8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
CHEMBL2009458SCHEMBL21686432DTXSID1010356918-[(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid111797-49-0NCI60_004073
Database identifiers
- CAS
111797-49-0- PubChem CID
- 413220
- DTXSID
DTXSID101035691- ChEMBL
CHEMBL2009458
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 647
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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