54708959 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 17 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 2 2 3 4 4 4 5 5 5 6 6 6 7 9 9 11 11 12 12 13 14 15 15 16 16 17 17 18 18 19 13 8 28 10 7 10 20 7 8 11 8 9 10 12 15 16 13 21 14 22 14 23 17 24 18 25 19 26 19 27 29 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 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 29 2 5.5301 7.2622 5.5301 4.6641 6.3961 4.6641 5.5301 7.2622 6.3961 3.7702 3.7702 2.8641 2.8641 8.1282 7.2622 8.9942 8.1282 8.9942 5.5301 3.7773 3.7773 2.3284 8.1282 6.7252 9.5312 8.1282 4.9932 9.5312 0.5841 1.56 -1.44 -1.44 0.06 0.06 -0.94 0.56 0.56 -0.94 0.5947 -1.4747 0.0808 -0.9608 0.06 1.56 0.56 2.06 1.56 -2.06 1.2146 -2.0946 -1.2729 -0.56 1.87 0.25 2.68 1.87 1.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 5 6 6 7 9 9 11 12 13 15 16 17 18 7 10 7 8 11 8 10 12 15 16 13 14 14 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 401 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723000040000000000000000000000000000000000306080000000000000814000001E02100800000C0E81982030C082C00200880225525000820000212700088801006EC8082632C1979184700866D401C8D90798C8A08E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-4-hydroxy-3-phenyl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloranyl-4-oxidanyl-3-phenyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-4-hydroxy-3-phenyl-carbostyril InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)14(18)13(15(19)17-12)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LTEXAOXVPRQIQP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 271.0400063 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H10ClNO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 271.70 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 271.0400063 19 0 0 0 0 0 0 0 1 -1