69268590 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 8 7 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 1 2 3 3 3 4 4 4 5 5 5 6 7 7 9 9 10 10 11 12 13 14 14 15 15 16 16 17 17 18 18 19 12 8 6 8 20 11 14 25 6 7 9 10 8 11 12 21 13 22 23 13 24 15 16 17 26 18 27 19 28 19 29 30 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 7 5 8 11 4 23 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 24 25 26 27 28 29 30 2 7.1279 5.5443 6.8335 4.5981 4.5981 5.5443 6.1279 3.732 3.732 5.855 2.866 2.866 7.1441 8.1226 6.4763 8.4333 6.787 7.7654 5.7369 3.732 3.732 5.4409 2.3291 7.2475 8.5367 5.8696 9.04 6.3729 7.9581 -0.7095 -1.7095 -2.5142 0.252 -1.2095 -2.2095 -0.9048 -1.7095 -0.7095 -2.7095 0.0458 -1.2095 -2.2095 1.2025 1.4087 1.9468 2.3592 2.8973 3.1035 -3.1035 -0.0895 -3.3295 0.5072 -2.5195 -0.2095 0.9473 1.819 2.4871 3.3588 3.6929 8 8 8 1 8 8 8 8 8 8 8 8 8 5 5 6 7 9 10 12 14 14 15 16 17 18 6 9 10 11 12 13 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 376 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000000000000160000000306000000000000058014000001E02100000000C0AC1982430C082C000008802255650008200002107000888810866C8082032C19791842008609400C8C8C71C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(anilinomethylene)-5-chloro-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(anilinomethylidene)-5-chloro-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(anilinomethylidene)-5-chloro-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(anilinomethylidene)-5-chloro-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloranyl-3-(phenylazanylmethylidene)-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(anilinomethylene)-5-chloro-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H11ClN2O/c16-10-6-7-14-12(8-10)13(15(19)18-14)9-17-11-4-2-1-3-5-11/h1-9,17H,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DNWRVQFYTKZFTN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.0559907 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H11ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.71 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)NC=C2C3=C(C=CC(=C3)Cl)NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)NC=C2C3=C(C=CC(=C3)Cl)NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.0559907 19 0 0 0 1 0 1 0 1 -1