chempirical

5-Nitro-1,10-phenanthroline

C12H7N3O2CAS 4199-88-6225.21 g/mol

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Nitro

Properties

Molecular formula
C12H7N3O2
Molar mass
225.21 g/mol
Exact mass
225.0538 Da
Melting point
202 °C
logP
2.69Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
4199-88-6
SMILES
O=[N+]([O-])c1cc2cccnc2c2ncccc12
InChIKey
PDDBTWXLNJNICS-UHFFFAOYSA-N
InChI
InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H

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Names and synonyms

4 names
  • 1,10-Phenanthroline, 5-nitro-
  • 5-Nitro-1,10-diazaphenanthrene
  • 5-Nitro-o-phenanthroline
  • NSC 4263

Work with 5-Nitro-1,10-phenanthroline

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

8-Nitroquinoline607-35-262 % similar Nitroxoline4008-48-459 % similar 5-Nitroquinoline607-34-153 % similar 5-Methyl-1,10-phenanthroline3002-78-649 % similar 5-Bromo-1,10-phenanthroline40000-20-249 % similar 5-Chloro-1,10-phenanthroline4199-89-749 % similar 5-Amino-6-nitroquinoline35975-00-948 % similar 7-Methyl-8-nitroquinoline7471-63-848 % similar

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

Elsewhere

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