18546352 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 7 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 1 2 2 3 4 4 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 15 30 15 6 8 21 6 7 9 10 15 19 20 13 14 11 22 12 23 12 24 25 16 17 26 18 27 18 28 29 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 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 30 7.7331 2.5369 3.403 6.001 5.135 6.001 4.269 6.8671 5.135 6.8671 6.001 6.8671 7.7331 6.8671 3.403 8.5991 7.7331 8.5991 4.6675 3.8705 5.4641 4.5981 7.404 6.001 7.404 6.3301 9.136 7.7331 9.136 2 -0.5 -0.5 -2 0.5 -1 -0.5 -0.5 1 -2 -1 -2.5 -2 0.5 2 -1 1 2.5 2 -0.0251 -0.0251 0.81 -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 8 9 10 11 13 14 16 17 6 9 10 13 14 11 12 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 2019.06.18 285 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 2 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 00000371C0723100000000000000000000000000000000000000306000000000000000014000001F00100800000C0881980830C882C00200880224D24800820000210200088801006488082072C0959184600864D001C8C807BCC8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluoroanilino)phenyl]acetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluoroanilino)phenyl]acetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluoroanilino)phenyl]acetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluoroanilino)phenyl]acetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-[(2-fluorophenyl)amino]phenyl]ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluoroanilino)phenyl]acetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H12FNO2/c15-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-14(17)18/h1-8,16H,9H2,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DWKOQWOOVUATNI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 245.08520679 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H12FNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 245.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)CC(=O)O)NC2=CC=CC=C2F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)CC(=O)O)NC2=CC=CC=C2F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 245.08520679 18 0 0 0 0 0 0 0 1 -1