58969122 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 7 2 8 2 1 1 2 2 3 3 4 4 4 5 5 5 6 6 6 7 8 4 16 7 17 8 18 5 7 8 6 9 10 11 12 13 14 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 4.769 2.5369 4.269 4.269 5.135 6.001 3.403 3.769 5.5335 4.7365 5.691 6.538 6.311 3.403 3.149 4.459 2 3.959 -1.299 -0.433 1.299 -0.433 0.067 -0.433 -0.933 0.433 0.5419 0.5419 -0.9699 -0.743 0.1039 -1.553 0.433 -1.836 -0.743 1.836 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603000000000000000000000000000000000000000000000000000000000000000001A00000800000C44A080020200000002000000000000000000000000000000000000000110000000000040000500000100000000000800000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H10O3/c1-2-5(8,3-6)4-7/h3-4,6-8H,2H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DQVPAOOQEDBDHA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 118.062994177 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H10O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 118.13 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC([CH]O)([CH]O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC([CH]O)([CH]O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 118.062994177 8 0 0 0 0 0 0 0 1 -1