25181243 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 16 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 2 3 4 4 5 5 6 6 6 7 8 8 10 10 11 11 12 12 13 13 14 15 16 16 17 17 19 19 19 5 7 14 9 18 19 8 9 7 9 10 11 12 13 14 20 15 21 16 22 17 23 15 24 18 25 18 26 27 28 29 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 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 19 20 21 22 23 24 25 26 27 28 29 5.5443 2 5.855 10.1279 6.1279 4.5981 4.5981 7.1279 5.5443 3.732 3.732 7.6279 7.6279 2.866 2.866 8.6279 8.6279 9.1279 10.6279 3.732 3.732 7.3179 7.3179 2.3291 8.9379 8.9379 10.091 10.9379 11.1648 -1.1824 0.6224 1.3776 -0.3776 -0.3776 0.1224 -0.8776 -0.3776 0.4271 0.6224 -1.3776 0.4884 -1.2436 0.1224 -0.8776 0.4884 -1.2436 -0.3776 -1.2436 1.2424 -1.9976 1.0253 -1.7806 -1.1876 1.0253 -1.7806 -1.5536 -1.7806 -0.9337 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 6 6 6 7 8 8 10 11 12 13 14 16 17 5 7 9 7 9 10 11 12 13 14 15 16 17 15 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 346 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723100400000000000000000000000000160000000306000000000000058014000001F04004000000C0C81D80A32C782000400880225525000820810252200088819066CC80C2632C4B59B84312864C411C8E987B8C8008E00400000000400000080000000080000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoranyl-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10FNO2S/c1-18-11-5-3-10(4-6-11)16-14(17)12-8-9(15)2-7-13(12)19-16/h2-8H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WBFBUSAZALVWJQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 275.04162790 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10FNO2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 275.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)N2C(=O)C3=C(S2)C=CC(=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)N2C(=O)C3=C(S2)C=CC(=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 275.04162790 19 0 0 0 0 0 0 0 1 -1