24870 1 2 3 17 8 8 2 2 1 1 2 3 1 2 1 5 255 1 2 3 2.866 3.732 2 -0.25 0.25 0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 7.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371000030000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/ClO2/c2-1-3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OSVXSBDYLRYLIG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 66.958682 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 ClO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 67.4518 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 O=Cl[O] SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 O=Cl[O] Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 18.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 66.958682 3 0 0 0 0 0 0 0 1 1