59631070 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 9 8 8 7 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 5 6 6 7 8 8 9 11 11 11 12 12 12 13 14 14 15 15 16 13 7 28 10 9 10 24 6 11 12 17 7 10 8 9 13 14 18 19 20 21 22 23 15 16 25 16 26 27 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 2 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 19 20 21 22 23 24 25 26 27 28 2.9176 4.666 6.3981 4.666 6.3981 5.5321 4.666 3.8 3.8 5.5321 7.2641 6.3981 2.9061 2.9061 2 2 6.3981 6.9541 7.801 7.5741 7.0181 6.3981 5.7781 4.666 2.9132 1.4643 1.4643 5.203 1.6896 1.655 -1.345 -1.345 0.655 0.155 0.655 0.155 -0.845 -0.845 0.155 1.655 0.6897 -1.3797 0.1758 -0.8658 0.035 -0.3819 -0.155 0.6919 1.655 2.275 1.655 -1.965 -1.9996 0.4879 -1.1779 1.965 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 8 8 9 13 14 15 9 10 7 10 8 9 13 14 15 16 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 338 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0723100000000000000000000000000000000000000304000000000000000810000001F00100800000D0C81980832C082C00200880225525000820000212200088801006CC8082632C0919184700866D401C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-fluoro-4-hydroxy-3-isopropyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-fluoro-4-hydroxy-3-propan-2-yl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-fluoranyl-4-oxidanyl-3-propan-2-yl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-fluoro-4-hydroxy-3-isopropyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H12FNO2/c1-6(2)9-11(15)10-7(13)4-3-5-8(10)14-12(9)16/h3-6H,1-2H3,(H2,14,15,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PWJIJSQUHAWVOR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.08520679 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H12FNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C1=C(C2=C(C=CC=C2F)NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C1=C(C2=C(C=CC=C2F)NC1=O)O 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 2021.05.07 221.08520679 16 0 0 0 0 0 0 0 1 -1