28468335 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 17 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 9 9 10 10 11 12 11 8 7 8 14 5 17 18 6 8 13 7 9 10 11 15 12 16 12 19 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 5 4 8 6 13 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 2 7.1279 5.5443 5.855 5.5443 4.5981 4.5981 6.1279 3.732 3.732 2.866 2.866 5.1068 5.7369 3.732 3.732 6.4616 5.4409 2.3291 0.5887 -0.4113 -1.2161 1.3439 0.3934 0.0887 -0.9113 -0.4113 0.5887 -1.4113 0.0887 -0.9113 0.8328 -1.8054 1.2087 -2.0313 1.4718 1.8054 -1.2213 5 8 8 8 8 8 8 5 6 6 7 9 10 11 4 7 9 10 11 12 12 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 209 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0000037180732000040000000000000000000000000160000000300000000000000058010000001E02100000000C2AC1982430C082C00000880225525000820000210700088881806688086032C1D791942008609400C8C8071C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-3-amino-5-chloro-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-3-amino-5-chloro-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>R</I>)-3-amino-5-chloro-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-3-amino-5-chloro-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-3-azanyl-5-chloranyl-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3R)-3-amino-5-chloro-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C8H7ClN2O/c9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-3,7H,10H2,(H,11,12)/t7-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FNQAGSCDABCRHM-SSDOTTSWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.0246905 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C8H7ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.61 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1Cl)C(C(=O)N2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1Cl)[C@H](C(=O)N2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.0246905 12 1 1 0 0 0 0 0 1 -1