68174 1 2 3 34 34 6 1 2 3 3 2 2 1 5 255 1 2 3 3.732 2 2.866 0.5 -0.5 0 0 Compound Canonicalized 5 2021.10.14 0 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371000000000000000020000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CSe2/c2-1-3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JNZSJDBNBJWXMZ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 171.83304 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CSe2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.95 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=[Se])=[Se] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=[Se])=[Se] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 171.83304 3 0 0 0 0 0 0 0 1 -1