16726 1 2 3 4 5 6 7 8 9 10 11 12 17 17 8 8 8 7 7 7 6 6 6 1 1 2 3 4 5 6 6 7 7 8 8 8 6 7 9 10 11 9 10 9 11 10 11 12 1 1 2 2 2 1 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 5.4641 2 3.732 3.732 4.5981 2.866 4.5981 2.866 3.732 2.3291 2 -1 1 1 -2 1 -0.5 -0.5 0.5 0.5 -1 -0.81 8 8 8 8 8 8 6 6 7 7 8 8 9 10 9 11 10 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 220 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 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 00000371004330000600000000000000000000000000000000002C0000000000000000000000000600102000000000000000010002C000000800000010000000000000000000000000008000000000000000000801200000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dichloro-1,3,5-triazinane-2,4,6-trione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dichloro-1,3,5-triazinane-2,4,6-trione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dichloro-1,3,5-triazinane-2,4,6-trione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dichloro-1,3,5-triazinane-2,4,6-trione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-bis(chloranyl)-1,3,5-triazinane-2,4,6-trione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3-dichloroisocyanuric acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CEJLBZWIKQJOAT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 196.9394963 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3HCl2N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.96 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=O)NC(=O)N(C(=O)N1Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=O)NC(=O)N(C(=O)N1Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 69.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 196.9394963 11 0 0 0 0 0 0 0 1 1