15625 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 17 17 17 8 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 2 3 4 5 5 6 6 7 7 8 9 9 10 11 11 12 12 13 13 14 14 15 17 18 17 16 15 7 9 8 10 8 14 13 10 12 11 18 22 17 21 16 20 15 19 16 18 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 2 2 9.0602 9.0602 5.5301 5.5301 6.3961 6.3961 4.6641 4.6641 3.7702 3.7702 7.2901 7.2901 8.1962 8.1962 2.8641 2.8641 7.2829 7.2829 3.7773 3.7773 -1.0241 1.0241 -1.0241 1.0241 1 -1 0.5 -0.5 0.5 -0.5 -1.0347 1.0347 -1.0347 1.0347 0.5208 -0.5208 0.5208 -0.5208 1.6546 -1.6546 1.6546 -1.6546 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 9 10 11 12 13 14 15 17 8 14 13 10 12 11 18 17 16 15 16 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 259 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 0000037180703000070000000000000000000000000000000000346080000000000000914000001A02000000000806809020300680000400800020420000020800202500008A40068A880D262285321A823822A4C0110AA8078040000000200001000040040040000200008008000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3,7,8-tetrachlorodibenzo-p-dioxin IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3,7,8-tetrachlorodibenzo-p-dioxin IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3,7,8-tetrachlorodibenzo-p-dioxin IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3,7,8-tetrakis(chloranyl)dibenzo-p-dioxin IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3,7,8-tetrachlorodibenzo-p-dioxin InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 HGUFODBRKLSHSI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.04.04 6.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 321.89359 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C12H4Cl4O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 321.97096 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 18.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 319.89654 18 0 0 0 0 0 0 0 1 1