892 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 7 8 8 9 9 10 10 11 11 12 7 24 8 23 9 22 10 21 11 20 12 19 8 9 13 11 14 10 15 12 16 12 17 18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4.269 2.5369 6.001 6.001 2.5369 4.269 4.269 3.403 5.135 5.135 3.403 4.269 4.8059 3.403 5.135 5.135 3.403 4.8059 3.732 2.5369 6.001 6.538 2 4.8059 2 1 1 -1 -1 -2 1 0.5 0.5 -0.5 -0.5 -1 1.31 1.12 1.12 -1.12 -1.12 -1.31 -2.31 -1.62 -1.62 0.69 0.69 2.31 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 104 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 6 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603800000000000000000000000000000000000000300000000000000000000000001A00000800000814A08002000000000200000000000000000000000000000000000000011002000000004000050000010001C060040000000000000000000200001000008000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexane-1,2,3,4,5,6-hexol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexane-1,2,3,4,5,6-hexol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexane-1,2,3,4,5,6-hexol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexane-1,2,3,4,5,6-hexol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexane-1,2,3,4,5,6-hexol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CDAISMWEOUEBRE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 180.063388 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H12O6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 180.15588 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1(C(C(C(C(C1O)O)O)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1(C(C(C(C(C1O)O)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 121 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 180.063388 12 0 0 0 0 0 0 0 1 1