ANTHRACENE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.

Anthracenes

Organic compounds

Benzenoids

Anthracenes

Calculated Property

kind Value Source
logP 4.56 ALOGPS
logS -5.6 ALOGPS
Water Solubility 4.84e-04 g/l ALOGPS
logP 3.95 ChemAxon
IUPAC Name anthracene ChemAxon
Traditional IUPAC Name anthracene ChemAxon
Molecular Weight 178.2292 ChemAxon
Monoisotopic Weight 178.07825032 ChemAxon
SMILES C1=CC2=CC3=CC=CC=C3C=C2C=C1 ChemAxon
Molecular Formula C14H10 ChemAxon
InChI InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H ChemAxon
InChIKey InChIKey=MWPLVEDNUUSJAV-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 0 ChemAxon
Refractivity 58.96 ChemAxon
Polarizability 20.61 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 0 ChemAxon
H Bond Donor Count 0 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

  • Naphthalene 1,2-dioxygenase subunit alpha : in Pseudomonas sp. (strain C18)
  • Naphthalene 1,2-dioxygenase subunit beta : in Pseudomonas sp. (strain C18)