14817 1 2 3 4 5 6 7 8 9 10 11 12 13 14 16 16 16 16 16 16 16 16 16 16 15 15 15 15 1 1 2 2 3 3 4 4 5 5 6 6 7 8 9 10 11 12 11 13 11 14 12 13 12 14 13 14 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 4.5092 2.8368 2.9819 3.673 3.8876 2 3.673 5.2163 2.1297 2.9818 3.673 4.5092 2.8368 2.9819 0.4589 0.4589 0.1036 -0.8094 -1.4185 -0.9894 1.9417 -1.2137 0.2005 -1.9417 0.9417 -0.5066 -0.5066 -0.9417 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 0000037100000003F800000000000000000000000000000000002448912000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/P4S10/c5-1-9-2(6)12-3(7,10-1)14-4(8,11-1)13-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 CYQAYERJWZKYML-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 6.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 443.615757 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 P4S10 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 444.545048 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 P12(=S)SP3(=S)SP(=S)(S1)SP(=S)(S2)S3 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 P12(=S)SP3(=S)SP(=S)(S1)SP(=S)(S2)S3 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 280 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 443.615757 14 0 0 0 0 0 0 0 1 1