68400291 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 17 8 7 7 6 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 7 7 9 9 10 10 11 12 13 11 8 6 8 14 13 19 20 6 7 9 10 8 13 11 15 12 16 12 17 18 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 7 5 8 13 4 18 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 2 7.1279 5.5443 5.1871 4.5981 4.5981 5.5443 6.1279 3.732 3.732 2.866 2.866 5.855 5.7369 3.732 3.732 2.3291 6.4616 5.3797 4.5804 0.1526 -0.8474 -1.6521 1.6521 -0.3474 -1.3474 -0.0427 -0.8474 0.1526 -1.8474 -0.3474 -1.3474 0.9078 -2.2415 0.7726 -2.4674 -1.6574 1.0357 2.2415 1.5243 8 8 8 8 8 8 5 5 6 9 10 11 6 9 10 11 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 264 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 0000037180732000040000000000000000000000000160000000300000000000000058010000001E02100000000C0AC1982430C082C000008802255650008200002107000888810066C8082032C19791842008609400C8C8C71C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-(aminomethylene)-5-chloro-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-(aminomethylidene)-5-chloro-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>E</I>)-3-(aminomethylidene)-5-chloro-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-(aminomethylidene)-5-chloro-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-(azanylmethylidene)-5-chloranyl-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-(aminomethylene)-5-chloro-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C9H7ClN2O/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8/h1-4H,11H2,(H,12,13)/b7-4+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XNHWLZZAHZPMNH-QPJJXVBHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 194.0246905 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C9H7ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 194.62 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1Cl)C(=CN)C(=O)N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1Cl)/C(=C\N)/C(=O)N2 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 2021.05.07 194.0246905 13 0 0 0 1 1 0 0 1 -1