56929162 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 8 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 2 3 3 4 5 5 6 6 7 7 8 9 10 10 11 11 11 12 12 14 15 16 16 17 17 18 19 19 21 21 21 7 9 20 14 21 13 18 31 8 9 8 10 12 13 14 22 13 16 17 15 23 15 24 18 25 19 26 20 20 27 28 29 30 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 2 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 6.4103 9.9939 2.866 8.4939 7.9939 6.4103 5.4641 5.4641 6.9939 4.5981 8.4939 4.5981 7.9939 3.732 3.732 7.9939 9.4939 8.4939 9.9939 9.4939 2 4.5981 4.5981 3.1951 7.3739 9.8039 10.6139 1.69 1.4631 2.31 8.3039 2.3052 -1.9636 2.5005 2.3665 -1.9636 0.6958 2.0005 1.0005 1.5005 2.5005 0.6345 0.5005 1.5005 2.0005 1.0005 -0.2315 0.6345 -1.0976 -0.2315 -1.0976 2.0005 3.1205 -0.1195 0.6905 -0.2315 1.1714 -0.2315 2.5375 1.6905 1.4636 -2.5005 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 7 7 8 10 11 11 12 14 16 17 18 19 7 9 8 9 8 10 12 14 16 17 15 15 18 19 20 20 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 397 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C072310040000000000000000000000000016000000030600000000000005801F400001F04000800000C0C81DE0A32C7B2081608AC03A472440083F8A0672A3848983DB66CD80C26B2E6B5BB84712864C011E8F987BAD8B28E00400104000001000080020800000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluoro-3-hydroxy-phenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluoranyl-3-oxidanyl-phenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluoro-3-hydroxy-phenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PKFJPFABNDZIRG-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 2021.05.07 303.03654252 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H10FNO3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N=C(S2)C(=O)C3=CC(=C(C=C3)F)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N=C(S2)C(=O)C3=CC(=C(C=C3)F)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 87.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.03654252 21 0 0 0 0 0 0 0 1 -1