83547 1 2 3 35 8 1 1 2 2 3 1 1 1 5 255 1 2 3 2 2.866 3.403 -0.25 0.25 -0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000020000010000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hypobromous acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hypobromous acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hypobromous acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hypobromous acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hypobromous acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hypobromous acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/BrHO/c1-2/h2H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CUILPNURFADTPE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 95.92108 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 BrHO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 96.91 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OBr SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OBr Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 95.92108 2 0 0 0 0 0 0 0 1 -1