136132 1 2 3 4 5 6 7 8 9 10 11 33 6 6 6 6 6 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 6 5 6 3 4 7 5 8 6 9 10 11 2 1 2 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.866 2.866 2 3.732 2 3.732 2.866 1.4631 4.269 1.4631 4.269 -1 1 0.5 0.5 -0.5 -0.5 1.62 0.81 0.81 -0.81 -0.81 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.9 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 0000037180600000000000004000000000000000000000000000240000000000000000018000001801000000000800801000300080000000800020420000020000200000088C000000880820228011108020002080000888060000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 arsinine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 arsenin IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 arsinine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 arsinine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 arsinine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 arsenin InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H5As/c1-2-4-6-5-3-1/h1-5H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XRFXFAVKXJREHL-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 139.960720 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H5As Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 140.01 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=[As]C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=[As]C=C1 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 2021.10.14 139.960720 6 0 0 0 0 0 0 0 1 -1