4020 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 32 33 17 8 7 7 6 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 1 1 2 2 3 3 3 4 4 5 5 6 6 7 8 8 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 5 27 5 7 8 7 11 6 10 9 12 9 11 21 22 13 14 15 23 24 16 25 17 26 18 28 19 29 17 30 31 20 32 20 33 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 5 2 3 6 10 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 32 33 8.8316 5.0274 5.3364 4.837 5.0274 4.0274 4.5274 6.1391 3.7183 5.9784 5.8311 3.3424 2.7029 6.7216 6.1863 2.3219 2 7.6726 7.1374 7.8805 6.7051 6.4502 5.7664 6.4375 3.5408 2.5182 4.4904 6.5927 5.7256 1.9088 1.394 8.1334 7.2663 1.6797 1.4436 -0.5074 -2.0398 0.4436 0.4436 -1.0952 -1.0938 -0.5074 0.7527 -2.039 1.2284 -0.7397 0.0835 1.7308 1.0197 0.029 0.3925 2.0398 1.3707 -1.3468 -0.5575 -2.6556 -2.168 1.8158 -1.3315 1.7536 -0.5229 2.1457 1.482 -0.1022 -0.0223 2.6463 3 8 8 8 8 8 8 8 8 8 8 8 8 5 6 6 9 10 10 12 13 14 15 16 18 19 2 9 12 13 14 15 16 17 18 19 17 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 419 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B2000040000000000000000000000000162000000306000000000100058014000001E02000800000C0EC19824310083000200A00222622400820001200500098800280E980866A2819B1194700864C001889807B0C0E00E84000000001000000800000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)-2,3-dihydroimidaz[1,2-b]isoindol-5-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZPXSCAKFGYXMGA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 284.0716407 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H13ClN2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 284.74 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 35.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 284.0716407 20 1 0 1 0 0 0 0 1 1