115128 1 2 3 4 34 8 8 8 1 1 1 2 3 4 2 2 2 1 5 255 1 2 3 4 2.866 3.732 2 2.866 0.25 0.75 0.75 -0.75 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 61.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371000030000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/O3Se/c1-4(2)3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VFLXBUJKRRJAKY-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 127.90127 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 O3Se Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.97 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O=[Se](=O)=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O=[Se](=O)=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 127.90127 4 0 0 0 0 0 0 0 1 -1