CID 170841004
Basic information
- CAS
31900-04-6- Standard SMILES
CN=c1[nH]c(=Nc2ccccc2)[nH]c(=Nc2ccc(C=Cc3ccc(N=c4[nH]c(=NC)[nH]c(=Nc5ccccc5)[nH]4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)[nH]1.[Na]- InChIKey
DBJSIZAVDCUBBL-UHFFFAOYSA-N- Molecular formula
- C34H32N12NaO6S2
- Average molar mass
- 791.8 g/mol
- Monoisotopic mass
- 791.19068842
Names & identifiers
- Preferred name
- CID 170841004
Database identifiers
- CAS
31900-04-6- PubChem CID
- 170841004
Properties
Computed structural properties
- Topological polar surface area
- 272 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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