FLUORESCIN

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Xanthenes

Organic compounds

Organoheterocyclic compounds

Benzopyrans

1-benzopyrans

Calculated Property

kind Value Source
logP 3.99 ALOGPS
logS -4.3 ALOGPS
Water Solubility 1.59e-02 g/l ALOGPS
logP 4.06 ChemAxon
IUPAC Name 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid ChemAxon
Traditional IUPAC Name fluorescin ChemAxon
Molecular Weight 334.3222 ChemAxon
Monoisotopic Weight 334.084123558 ChemAxon
SMILES OC(=O)C1=CC=CC=C1C1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2 ChemAxon
Molecular Formula C20H14O5 ChemAxon
InChI InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24) ChemAxon
InChIKey InChIKey=MURGITYSBWUQTI-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 86.99 ChemAxon
Refractivity 91.84 ChemAxon
Polarizability 33.88 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.89 ChemAxon
pKa (strongest basic) -6 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Ig gamma-1 chain C region : in Human