7960 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 35 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 2 3 4 8 5 11 12 6 9 10 7 13 14 7 15 16 17 18 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 2.866 2.866 2 3.732 2 3.732 2.866 3.403 4.3426 3.9441 1.788 1.3894 1.3894 1.788 3.9441 4.3426 2.4675 3.2646 1.5 0.5 0 0 -1 -1 -1.5 0.81 -0.1077 0.5826 0.5826 -0.1077 -0.8923 -1.5826 -1.5826 -0.8923 -1.975 -1.975 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 46.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 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 00000371C060000000100000000000000000000000000000000030000000000000000000000000180040000001C8008000000000000000000000000000000000000000000000000000200000020000000000000000000000010000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 bromocyclohexane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 bromocyclohexane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 bromocyclohexane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 bromanylcyclohexane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 bromocyclohexane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 AQNQQHJNRPDOQV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 3.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 162.004412 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C6H11Br Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 163.05554 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1CCC(CC1)Br SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1CCC(CC1)Br Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 162.004412 7 0 0 0 0 0 0 0 1 1