68330001 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 17 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 9 10 10 11 11 11 12 12 14 14 15 13 5 7 9 13 27 28 6 16 17 8 18 19 8 10 12 11 13 20 14 21 22 23 24 15 25 15 26 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 9 3 11 13 20 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 2 7.5013 5.5443 7.1441 6.1279 5.5443 4.5981 4.5981 5.855 3.732 5.1871 3.732 6.8335 2.866 2.866 6.5888 6.5888 6.0817 5.2933 5.2483 3.732 4.7256 4.773 5.6486 3.732 2.3291 7.7508 6.7301 2.1867 -0.0304 0.382 -1.7253 1.1867 1.9915 0.6867 1.6867 -0.5685 0.1867 -1.3128 2.1867 -0.7747 0.6867 1.6867 0.772 1.6015 2.3007 2.5584 -0.4407 -0.4333 -0.8988 -1.7743 -1.7269 2.8067 0.3767 -1.8531 -2.1867 8 8 8 3 8 8 8 7 7 8 9 10 12 14 8 10 12 11 14 15 15 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 259 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 1 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 00000371C0732000040000000000000000000000000160000000300000000000000058010000001E02100000000C2AC1982432C083400000880225525000820000210700088801886688086022C193B1942008609000C8C8071080800E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloroindolin-1-yl)propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2,3-dihydroindol-1-yl)propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2,3-dihydroindol-1-yl)propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2,3-dihydroindol-1-yl)propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloranyl-2,3-dihydroindol-1-yl)propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloroindolin-1-yl)propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H13ClN2O/c1-7(11(13)15)14-5-4-8-6-9(12)2-3-10(8)14/h2-3,6-7H,4-5H2,1H3,(H2,13,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UTVDSQLRWONVNS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.0716407 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H13ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C(=O)N)N1CCC2=C1C=CC(=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C(=O)N)N1CCC2=C1C=CC(=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 46.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.0716407 15 1 0 1 0 0 0 0 1 -1