chempirical

1-Phenazinecarboxylic acid

C13H8N2O2CAS 2538-68-3224.22 g/mol

Open in Covalent MOL file
OOHNN
Carboxylic acid

Properties

Molecular formula
C13H8N2O2
Molar mass
224.22 g/mol
Exact mass
224.0586 Da
Melting point
238–239 °C
logP
2.48Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2538-68-3
SMILES
O=C(O)c1cccc2nc3ccccc3nc12
InChIKey
JGCSKOVQDXEQHI-UHFFFAOYSA-N
InChI
InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)

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Names and synonyms

5 names
  • Phenazinecarboxylic acid
  • Phenazine-α-carboxylic acid
  • Tubermycin B
  • NSC 15851
  • Shenqinmycin

Work with 1-Phenazinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phthalic acid88-99-355 % similar Bicinchoninic acid1245-13-250 % similar Ammonium phthalate523-24-050 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-250 % similar Hemimellitic acid569-51-750 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-750 % similar 2,3-Quinolinedicarboxylic acid643-38-949 % similar 4-Quinolinecarboxylic acid486-74-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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