13409348 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 9 8 8 8 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 3 4 5 5 5 6 7 7 7 8 8 9 9 10 10 11 11 12 13 14 14 16 16 17 17 18 13 6 10 15 29 15 6 7 8 9 15 19 20 11 21 12 22 13 14 12 23 24 16 17 25 18 26 18 27 28 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 2 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 7.7331 6.001 2.5369 3.403 5.135 6.001 4.269 5.135 6.8671 6.8671 6.001 6.8671 7.7331 6.8671 3.403 8.5991 7.7331 8.5991 4.6675 3.8705 4.5981 7.404 6.001 7.404 6.3301 9.136 7.7331 9.136 2 -0.5 0.5 -0.5 -2 -1 -0.5 -0.5 -2 -1 1 -2.5 -2 0.5 2 -1 1 2.5 2 -0.0251 -0.0251 -2.31 -0.69 -3.12 -2.31 2.31 0.69 3.12 2.31 -0.81 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 8 9 10 10 11 13 14 16 17 6 8 9 11 12 13 14 12 16 17 18 18 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 282 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703100000000000000000000000000000000000000306000000000000000014000001B00000800000C04809808300E80000600880220D208000208002020000888010608880C263284351A827820A4C01108A807CAC8A08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]acetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]acetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]acetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]acetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluoranylphenoxy)phenyl]ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]acetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H11FO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1-8H,9H2,(H,16,17) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LAVKHAMQQVBXLL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.06922237 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H11FO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)CC(=O)O)OC2=CC=CC=C2F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)CC(=O)O)OC2=CC=CC=C2F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.06922237 18 0 0 0 0 0 0 0 1 -1