517121 1 2 3 4 5 6 7 8 9 10 11 12 17 17 11 8 8 8 7 7 7 6 6 6 3 1 7 -1 1 2 3 4 5 6 7 7 8 8 9 9 8 9 7 10 11 12 10 11 10 12 11 12 1 1 7 2 2 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.732 5.4641 2 2 3.732 5.4641 2.866 3.732 4.5981 2.866 3.732 4.5981 2 -1 -1 1 -2 1 -0.5 1 -0.5 0.5 -1 0.5 8 8 8 8 8 8 7 7 8 8 9 9 10 11 10 12 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 225 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371004330200600000000000000000000000000000000002C00000000000000000000000006000020000000000000000100020000000800000010000000000000000000000000008000000000000000000801200000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;1,3-bis(chloranyl)-1,3-diaza-5-azanidacyclohexane-2,4,6-trione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;1,3-dichloro-s-triazin-5-ide-2,4,6-trione InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MSFGZHUJTJBYFA-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.9214405 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3Cl2N3NaO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 219.94 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=O)[N-]C(=O)N(C(=O)N1Cl)Cl.[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=O)[N-]C(=O)N(C(=O)N1Cl)Cl.[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.9214405 12 0 0 0 0 0 0 0 2 -1