641600 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 34 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 4 12 9 24 4 11 6 7 13 14 8 15 16 9 17 18 10 19 20 11 21 12 22 23 12 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 2 11 7 21 2 1 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 23 24 2 5.1985 3.487 2.5201 4.4914 3.5675 4.8741 2.6436 4.4914 2.261 3.5675 2.6436 5.1061 4.5723 3.945 3.1901 5.366 5.366 2.5627 2.0289 5.0995 1.7691 1.7691 5.7974 -1.0704 -1.02 -1.6864 -1.9176 1.5349 1.9176 0.611 1.5349 -0.3129 0.611 -0.6955 -0.3129 1.6158 2.1496 2.4095 2.4095 0.2336 0.9884 2.1496 1.6158 -0.1919 0.9884 0.2336 -0.8595 8 8 8 8 5 8 1 1 3 3 9 11 4 12 4 11 2 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 156 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 1 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 00000371C0732000000000002000000000000000000160000000000000000000180000018000001E0088080000081CA19602008010000200A2010460400400040020000010180030480802360200900080500024800008580390C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 (4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 (4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 (4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 (4R)-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol-4-ol IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 (4R)-4,5,6,7,8,9-hexahydrocycloocta[d]selenadiazol-4-ol InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C8H12N2OSe/c11-6-4-2-1-3-5-7-8(6)9-10-12-7/h6,11H,1-5H2/t6-/m1/s1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 BLMTZBROUHLTAE-ZCFIWIBFSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 232.011484 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C8H12N2OSe Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 231.15368 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1CCC(C2=C(CC1)[Se]N=N2)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1CC[C@H](C2=C(CC1)[Se]N=N2)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 46 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 232.011484 12 1 1 0 0 0 0 0 1 1