159402 1 2 3 4 5 6 7 53 53 8 8 8 8 8 1 1 1 2 2 2 3 4 5 3 6 7 1 2 2 1 2 2 1 5 255 1 2 3 4 5 6 7 2.866 4.5981 3.732 2 2.866 5.4641 4.5981 0.25 0.25 0.75 0.75 -0.75 0.75 -0.75 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 124 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000038000003000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 iodyl iodate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 iodic acid iodyl ester IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 iodyl iodate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 iodyl iodate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 iodic acid iodyl ester InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/I2O5/c3-1(4)7-2(5)6 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 BIZCJSDBWZTASZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -0.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 333.783519 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 I2O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 333.80594 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 O=I(=O)OI(=O)=O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 O=I(=O)OI(=O)=O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 77.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 333.783519 7 0 0 0 0 0 0 0 1 1