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 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 252 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000300030700000000000000000000000000000000002000000000000000000000000000000080000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,4,4,6,6-hexakis(chloranyl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 UBIJTWDKTYCPMQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 5.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 346.740673 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 Cl6N3P3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 347.659386 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 37.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 344.743623 12 0 0 0 0 0 0 0 1 1