43190745 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 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 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 12 13 13 14 14 15 16 15 11 8 9 24 11 12 26 6 7 8 17 7 18 19 20 21 22 23 10 11 25 12 13 14 15 27 16 28 16 29 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 9 3 10 11 25 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 2 7.1279 5.855 5.5443 7.1441 7.8884 6.9379 6.8335 5.5443 4.5981 6.1279 4.5981 3.732 3.732 2.866 2.866 6.525 8.3763 8.1804 7.0253 6.3182 6.854 7.4473 5.4409 5.1068 5.7369 3.732 3.732 2.3291 -0.2482 -1.2482 0.507 -2.053 1.6638 2.3316 2.6423 0.7133 -0.4435 -0.7482 -1.2482 -1.7482 -0.2482 -2.2482 -0.7482 -1.7482 1.6973 1.9491 2.8785 3.2561 2.6217 0.0936 0.6259 0.9685 -0.0041 -2.6423 0.3718 -2.8682 -2.0582 3 8 8 8 8 8 8 9 10 10 12 13 14 15 3 12 13 14 15 16 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 293 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000001800000160000000300000000000000058010000001E02100000000D2AC1982430C082C00000880225525000820000210700088881886688086032C1D7B1942008609400C8C8071C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-(cyclopropylmethylamino)indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-(cyclopropylmethylamino)-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-(cyclopropylmethylamino)-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-(cyclopropylmethylamino)-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloranyl-3-(cyclopropylmethylamino)-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-3-(cyclopropylmethylamino)oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H13ClN2O/c13-8-3-4-10-9(5-8)11(12(16)15-10)14-6-7-1-2-7/h3-5,7,11,14H,1-2,6H2,(H,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RLBWVUNXQPLVDF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.0716407 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H13ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.70 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1CNC2C3=C(C=CC(=C3)Cl)NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1CNC2C3=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 2021.05.07 236.0716407 16 1 0 1 0 0 0 0 1 -1