44461612 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 15 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 3 -1 4 -1 1 1 1 1 2 6 6 6 7 7 7 7 8 8 9 9 10 10 10 11 12 13 13 14 14 15 15 16 16 17 2 3 4 5 13 11 12 23 8 10 18 19 9 12 11 14 13 20 21 15 22 24 25 16 26 17 27 17 28 29 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 7.5673 7.2566 7.8779 8.5178 6.6168 4.6783 4.9889 4.6783 3.732 5.9674 3.732 5.2619 6.2781 2.866 2.866 2 2 4.9684 4.3751 5.988 6.5812 5.8819 4.8709 6.2575 5.6643 2.866 2.866 1.4631 1.4631 2.2561 1.3056 3.2066 1.9455 2.5668 -2.6173 -0.0573 -1.0079 -1.3126 0.1489 -2.3126 -1.8126 1.0994 -0.8126 -2.8126 -1.3126 -2.3126 0.5623 0.03 -0.4708 0.0615 -1.8126 -3.2066 1.719 1.1867 -0.1926 -3.4326 -1.0026 -2.6226 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 9 11 14 15 16 11 12 9 12 11 14 15 16 17 17 -2 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 282 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C072380200000000000000000000000000016000000030000000000000005801F000001E00100020000C08E19E063CC0F2C99110A0433467448082802031022008D9A03864980820E2C09191842008649000C8C80790D0F20E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 3-(1H-indol-3-yl)propyl phosphate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 3-(1H-indol-3-yl)propyl phosphate IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 3-(1H-indol-3-yl)propyl phosphate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 3-(1H-indol-3-yl)propyl phosphate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 3-(1H-indol-3-yl)propyl phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 NKEZSFZOUIIZFL-UHFFFAOYSA-L Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 253.050394 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C11H12NO4P-2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 253.191042 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC=C2C(=C1)C(=CN2)CCCOP(=O)([O-])[O-] SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1=CC=C2C(=C1)C(=CN2)CCCOP(=O)([O-])[O-] Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 88.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 253.050394 17 0 0 0 0 0 0 0 1 1