676493 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 35 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 7 7 8 9 10 9 3 8 11 4 6 5 7 8 12 9 13 10 14 15 10 16 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2 5.5443 4.5981 4.5981 5.5443 3.732 3.732 6.1279 2.866 2.866 5.7369 5.7369 3.732 3.732 6.7479 2.3291 0.803 0.6077 0.303 -0.697 -1.0018 0.803 -1.197 -0.197 0.303 -0.697 1.197 -1.5911 1.423 -1.817 -0.197 -1.007 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 6 7 9 3 8 4 6 5 7 8 9 10 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 126 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 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 000003718072000000100000000000000000000000016000000030000000000000005801F000001C0050000001AC08C11E043CC0F2C99000A0033467440082802031022408D9A03864B80820E2C09191842008609000C8CA171080800E02000000010200000400000002040000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 6-bromo-1H-indole IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 6-bromo-1H-indole IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 6-bromo-1H-indole IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 6-bromanyl-1H-indole IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 6-bromo-1H-indole InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 MAWGHOPSCKCTPA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 194.968361 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C8H6BrN Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 196.04394 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC(=CC2=C1C=CN2)Br SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC(=CC2=C1C=CN2)Br Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 15.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 194.968361 10 0 0 0 0 0 0 0 1 1