82238 1 2 53 35 1 2 1 1 5 255 1 2 2 3 0 0 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 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 00000371000000000012000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/BrI/c1-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 CBEQRNSPHCCXSH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 205.82281 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 BrI Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 206.80847 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 BrI SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 BrI Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 205.82281 2 0 0 0 0 0 0 0 1 1