25181201 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 31 16 9 8 7 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 1 1 2 3 4 4 5 5 6 6 7 7 7 8 10 10 11 11 12 12 13 14 14 15 15 15 16 16 17 17 17 18 19 4 8 18 9 5 9 6 10 12 15 8 9 14 16 11 20 13 17 13 21 22 18 23 24 25 26 19 27 28 29 30 19 31 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 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 30 31 5.5443 2 5.855 6.1279 7.1279 7.6279 4.5981 4.5981 5.5443 7.6279 8.6279 8.6279 9.1279 3.732 7.1279 3.732 9.1279 2.866 2.866 7.3179 8.9379 9.7479 3.732 6.591 6.8179 7.6648 3.732 9.6648 9.4379 8.591 2.3291 -0.8163 0.9884 1.7436 -0.0116 -0.0116 -0.8776 0.4884 -0.5116 0.7931 0.8544 0.8544 -0.8776 -0.0116 0.9884 -1.7436 -1.0116 1.7204 0.4884 -0.5116 1.3914 -1.4146 -0.0116 1.6084 -1.4336 -2.2806 -2.0537 -1.6316 1.4104 2.2574 2.0304 -0.8216 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 5 5 6 7 7 7 8 10 11 12 14 16 18 4 8 9 6 10 12 8 9 14 16 11 13 13 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 364 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0722100400000000000000000000000000160000000306000000000000058014000001F04004000000C0881D80832C1820000008802255250008200102502000888190064C8082032C09591842108608400C8C9871888008E400000400006000080000080000C0000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethylphenyl)-5-fluoranyl-1,2-benzothiazol-3-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,5-dimethylphenyl)-5-fluoro-1,2-benzothiazol-3-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-8-11(16)5-6-14(12)19-17/h3-8H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KVSHNLSLZGDCNM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.06236334 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H12FNOS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(C=C1)C)N2C(=O)C3=C(S2)C=CC(=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(C=C1)C)N2C(=O)C3=C(S2)C=CC(=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 45.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.06236334 19 0 0 0 0 0 0 0 1 -1