3071 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 3 4 4 5 5 6 6 7 7 8 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 8 11 25 9 10 24 4 5 20 21 7 11 6 10 9 13 8 12 14 15 22 23 16 27 17 26 18 29 19 28 18 31 19 30 33 32 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 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 25 26 27 28 29 30 31 32 33 4.6783 7.5675 4.9889 4.6783 5.9674 6.3726 3.732 3.732 7.3667 6.7044 5.2619 2.866 5.969 2.866 7.9573 2 6.5596 2 7.5537 4.9684 4.3751 6.6375 5.8819 8.1326 4.8709 5.3526 2.866 8.5737 2.866 6.3094 1.4631 7.9199 1.4631 -2.4033 0.1891 0.1567 -0.7938 0.3629 1.2707 -1.0986 -2.0986 1.1627 -0.3042 -1.5986 -0.5986 2.1856 -2.5986 1.9697 -1.0986 2.9926 -2.0986 2.8846 0.7763 0.244 -0.9206 -1.5986 -0.066 -2.9926 2.2526 0.0214 1.9028 -3.2186 3.5599 -0.7886 3.385 -2.4086 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 5 5 6 6 7 7 8 9 12 13 14 15 16 17 8 11 9 10 7 11 6 10 9 13 8 12 14 15 16 17 18 19 18 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 286 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371C07B0000000000000000000000000000000162C0000030600000000000005801FE00001C00100000000C08C11E043CC0F2C99000A0033467440082802031022008D9A03864980820E2C09191842008609000C8C8071080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 3-(1H-indol-3-ylmethyl)-1H-indole IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 3-(1H-indol-3-ylmethyl)-1H-indole IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 3-(1H-indol-3-ylmethyl)-1H-indole IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 3-(1H-indol-3-ylmethyl)-1H-indole IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 3-(1H-indol-3-ylmethyl)-1H-indole InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 VFTRKSBEFQDZKX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.04.04 4.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 246.115698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C17H14N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 246.30646 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 31.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 246.115698 19 0 0 0 0 0 0 0 1 1