70699790 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 9 8 8 8 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 2 2 3 4 5 5 5 6 6 7 7 7 8 8 8 9 10 10 11 11 12 12 13 14 15 15 16 16 16 17 7 18 30 18 19 6 9 12 10 11 9 15 20 13 14 16 21 13 22 14 23 17 24 25 26 17 19 18 27 28 29 1 1 1 2 2 1 2 1 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 7 1 9 15 20 3 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 2 4.5981 5.4641 3.732 3.732 3.732 2.866 3.732 2.866 2.866 4.5981 4.5981 2.866 4.5981 3.732 3.732 4.5981 4.5981 3.732 2.866 2.3291 2.3291 5.135 5.135 2.3291 5.135 3.52 3.1215 5.135 5.135 -2.905 4.595 3.095 -4.905 -0.905 0.095 -2.405 2.095 -1.405 0.595 0.595 -1.405 1.595 1.595 -2.905 3.095 -2.405 3.595 -3.905 -3.025 -1.095 0.285 0.285 -1.095 1.905 1.905 3.6776 2.9873 -2.715 4.905 8 8 3 8 8 8 8 6 6 7 8 8 10 11 10 11 1 13 14 13 14 0 Compound Canonicalized 5 2019.01.04 0 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 464 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C0703100000000000000000000000000000000000000304000000000000000010000001B00000800000C00809800300880000200880220D2080002000020000008880100008808203280151080600024C00108880788C8E08E40000000000000008000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H11FO3/c16-14-8-12(5-6-13(14)9-17)11-3-1-10(2-4-11)7-15(18)19/h1-6,8,14H,7H2,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XFPCJEXHRBFCKS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.06922237 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H11FO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC=C1CC(=O)O)C2=CC(C(=C=O)C=C2)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC=C1CC(=O)O)C2=CC(C(=C=O)C=C2)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 54.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.06922237 19 1 0 1 0 0 0 0 1 -1