54704052 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 17 16 8 8 8 7 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 2 2 3 4 4 5 6 6 6 7 7 7 8 8 8 9 10 10 12 12 13 14 14 15 16 17 19 19 20 20 21 15 17 21 11 13 26 18 9 11 18 18 29 30 9 10 12 14 11 13 15 22 17 16 23 16 24 19 20 25 21 27 28 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 1 1 10 8 11 13 4 17 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 2 7.2418 7.1279 5.1871 6.8335 5.5443 5.1871 4.5981 4.5981 5.5443 6.1279 3.732 5.855 3.732 2.866 2.866 6.8335 5.855 7.5754 8.4423 8.2361 3.732 3.732 2.3291 7.5096 5.3797 9.0083 8.6518 5.3797 4.5804 1 2.8743 0 2.4996 -1.9615 -0.8047 -2.4996 0.5 -0.5 0.8047 0 1 1.7552 -1 0.5 -0.5 1.9615 -1.7552 1.2911 1.7896 2.7681 1.62 -1.62 -0.81 0.6746 3.0889 1.5364 3.2281 -3.0889 -2.3717 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 9 12 14 15 17 19 20 17 21 9 12 14 15 16 16 19 20 21 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 510 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371C073300044000000000000000000000000016240000030000000000000005801C000001E06100800000C0E85D820B1C1834002088C0225525000830080212F10488819006EC8882632E1979184700864C523E8D9279C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-5-chloro-3-[hydroxy(2-thienyl)methylene]-2-oxo-indoline-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-5-chloro-3-[hydroxy(thiophen-2-yl)methylidene]-2-oxo-1-indolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>E</I>)-5-chloro-3-[hydroxy(thiophen-2-yl)methylidene]-2-oxoindole-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-5-chloro-3-[hydroxy(thiophen-2-yl)methylidene]-2-oxoindole-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-5-chloranyl-2-oxidanylidene-3-[oxidanyl(thiophen-2-yl)methylidene]indole-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-5-chloro-3-[hydroxy(2-thienyl)methylene]-2-keto-indoline-1-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,18H,(H2,16,20)/b12-11+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LXIKEPCNDFVJKC-VAWYXSNFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.0022410 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H9ClN2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CSC(=C1)C(=C2C3=C(C=CC(=C3)Cl)N(C2=O)C(=O)N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CSC(=C1)/C(=C\2/C3=C(C=CC(=C3)Cl)N(C2=O)C(=O)N)/O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 112 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.0022410 21 0 0 0 1 1 0 0 1 -1