68467066 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 6 6 6 7 9 9 10 10 10 11 11 12 13 12 8 7 8 17 5 6 8 14 7 9 10 15 16 11 12 18 19 20 21 13 22 13 23 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 4 5 6 8 14 3 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 2 7.1279 5.5443 5.5443 4.5981 5.855 4.5981 6.1279 3.732 6.8335 3.732 2.866 2.866 5.1068 5.8344 5.2411 5.7369 3.732 6.9613 7.4401 6.7056 3.732 2.3291 0.7163 -0.2837 -1.0884 0.521 0.2163 1.4715 -0.7837 -0.2837 0.7163 1.6778 -1.2837 0.2163 -0.7837 0.9604 2.0912 1.5589 -1.6778 1.3363 1.0711 1.8056 2.2844 -1.9037 -1.0937 3 8 8 8 8 8 8 4 5 5 7 9 11 12 6 7 9 11 12 13 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 219 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0722000040000000000000000000000000160000000300000000000000058010000001E02100000000D0A81982032C082C00000880225525000820000210700088801006688082032C19791842008609400C8C8071C88C08E80004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-ethyl-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-ethyl-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-ethyl-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-ethyl-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloranyl-3-ethyl-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-ethyl-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H10ClNO/c1-2-7-8-5-6(11)3-4-9(8)12-10(7)13/h3-5,7H,2H2,1H3,(H,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FRCQDVQBKBEJKN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.0450916 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H10ClNO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.64 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1C2=C(C=CC(=C2)Cl)NC1=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1C2=C(C=CC(=C2)Cl)NC1=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 29.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 195.0450916 13 1 0 1 0 0 0 0 1 -1