220225 1 2 3 4 5 6 7 8 9 10 11 12 17 17 17 17 17 17 15 15 15 7 7 7 1 2 3 4 5 6 7 7 8 8 9 9 7 7 8 8 9 9 10 11 10 12 11 12 1 1 1 1 1 1 2 1 1 2 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.366 4.366 2.5 2 5.732 5.232 3.866 3 4.732 3 4.732 3.866 -1.616 -1.616 1.616 0.75 0.75 1.616 -0.75 0.75 0.75 -0.25 -0.25 1.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 252 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 00000371000300030700000000000000000000000000000000002000000000000000000000000000000080000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2&lambda;<SUP>5</SUP>,4&lambda;<SUP>5</SUP>,6&lambda;<SUP>5</SUP>-triphosphacyclohexa-1,3,5-triene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,4,4,6,6-hexakis(chloranyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UBIJTWDKTYCPMQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 346.740674 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Cl6N3P3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.7 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 344.743624 12 0 0 0 0 0 0 0 1 -1