2,2′-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.

Fluorenes

Organic compounds

Benzenoids

Fluorenes

Calculated Property

kind Value Source
logP 1.47 ALOGPS
logS -3.6 ALOGPS
Water Solubility 8.29e-02 g/l ALOGPS
logP 1.57 ChemAxon
IUPAC Name 2-{[7-(carboxymethoxy)-9-(hydroxyimino)-9H-fluoren-2-yl]oxy}acetic acid ChemAxon
Traditional IUPAC Name {[7-(carboxymethoxy)-9-(hydroxyimino)fluoren-2-yl]oxy}acetic acid ChemAxon
Molecular Weight 343.2876 ChemAxon
Monoisotopic Weight 343.069201775 ChemAxon
SMILES ON=C1C2=CC(OCC(O)=O)=CC=C2C2=C1C=C(OCC(O)=O)C=C2 ChemAxon
Molecular Formula C17H13NO7 ChemAxon
InChI InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22) ChemAxon
InChIKey InChIKey=VOKATEXROYSXDW-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 125.65 ChemAxon
Refractivity 84.63 ChemAxon
Polarizability 34.2 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 2.96 ChemAxon
pKa (strongest basic) 1.56 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Serine/threonine-protein kinase Chk1 : in Human