1,10-Phenanthroline

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.

Phenanthrolines

Organic compounds

Organoheterocyclic compounds

Phenanthrolines

Calculated Property

kind Value Source
logP 2.31 ALOGPS
logS -3.1 ALOGPS
Water Solubility 1.32e-01 g/l ALOGPS
logP 2.29 ChemAxon
IUPAC Name 1,10-phenanthroline ChemAxon
Traditional IUPAC Name phen ChemAxon
Molecular Weight 180.2053 ChemAxon
Monoisotopic Weight 180.068748266 ChemAxon
SMILES C1=CC2=CC=C3C=CC=NC3=C2N=C1 ChemAxon
Molecular Formula C12H8N2 ChemAxon
InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H ChemAxon
InChIKey InChIKey=DGEZNRSVGBDHLK-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 25.78 ChemAxon
Refractivity 53.9 ChemAxon
Polarizability 19.26 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 4.8 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Methyl-accepting chemotaxis protein II : in Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
  • Metallo-beta-lactamase L1 : in Pseudomonas maltophilia