14812 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 15 15 15 8 8 8 8 8 8 8 8 8 8 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 7 10 11 5 6 9 12 6 7 8 13 8 9 10 14 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 3.673 4.5092 2.8368 2.9819 4.5092 3.673 2.8368 2 3.8876 2.9819 3.673 5.2163 2.1297 2.9818 0.9417 -0.5066 -0.5066 -0.9417 0.4589 -0.8094 0.4589 -0.9894 -1.4185 0.1036 1.9417 -1.2137 0.2005 -1.9417 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 327 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 10 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 0000037100003C038000000000000000000000000000000000002448912000000000000000000000000000200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/O10P4/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 DLYUQMMRRRQYAE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -2.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 283.844193 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 O10P4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 283.889048 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 124 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 283.844193 14 0 0 0 0 0 0 0 1 1