43192440 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 31 17 8 7 7 6 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 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 10 10 10 11 11 12 12 12 13 13 14 15 16 16 16 14 9 5 7 18 8 9 23 6 9 17 8 11 10 19 20 13 12 21 22 14 24 16 25 26 15 27 15 28 29 30 31 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 5 3 6 9 17 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 31 2 7.1279 5.855 5.5443 5.5443 4.5981 6.8335 4.5981 6.1279 7.1441 3.732 8.1226 3.732 2.866 2.866 8.4333 5.1068 5.4409 6.854 7.4473 7.1236 6.5303 5.7369 3.732 8.1432 8.7364 3.732 2.3291 9.0226 8.6259 7.844 -0.3373 -1.3373 0.4179 -2.1421 -0.5326 -0.8373 0.6241 -1.8373 -1.3373 1.5747 -0.3373 1.7809 -2.3373 -0.8373 -1.8373 2.7314 -0.0933 0.8794 0.0045 0.5368 2.1943 1.662 -2.7314 0.2827 1.1612 1.6935 -2.9573 -2.1473 2.5388 3.3207 2.924 3 8 8 8 8 8 8 5 6 6 8 11 13 14 3 8 11 13 14 15 15 0 Compound Canonicalized 5 2019.01.04 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000000000000160000000300000000000000058010000001E02100000000C2AC1982432C082C00000880225525000820000210700088881886688086032C1D7B1942008609400C8C8071C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(butylamino)-5-chloro-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(butylamino)-5-chloro-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(butylamino)-5-chloro-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(butylamino)-5-chloro-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(butylamino)-5-chloranyl-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(butylamino)-5-chloro-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H15ClN2O/c1-2-3-6-14-11-9-7-8(13)4-5-10(9)15-12(11)16/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WAUCZEXVFORXSZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.0872908 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H15ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.71 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNC1C2=C(C=CC(=C2)Cl)NC1=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNC1C2=C(C=CC(=C2)Cl)NC1=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 2021.05.07 238.0872908 16 1 0 1 0 0 0 0 1 -1