10131112 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 17 7 7 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 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 9 10 11 11 12 12 13 13 14 14 14 15 15 16 17 16 9 10 25 8 12 26 5 6 11 7 9 8 18 19 10 13 20 21 14 15 12 22 23 24 16 27 28 29 30 17 31 17 32 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 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 2 5.5443 6.4763 5.855 5.5443 5.1871 4.5981 5.4978 6.1279 4.5981 6.8335 7.1441 3.732 7.1279 3.732 2.866 2.866 4.6402 4.8046 5.4772 4.884 7.2475 7.691 7.5267 5.7369 6.6689 3.732 7.1279 7.7479 7.1279 3.732 2.3291 -0.4258 -2.2305 2.2305 0.3295 -0.621 1.0738 -0.9258 2.0243 -1.4258 -1.9258 0.5357 1.4862 -0.4258 -1.4258 -2.4258 -0.9258 -1.9258 1.3658 0.5859 2.6439 2.1116 0.0742 1.1942 1.9741 -2.8198 2.8198 0.1942 -2.0458 -1.4258 -0.8058 -3.0458 -2.2358 8 8 8 8 8 8 8 8 8 8 2 2 5 5 7 7 10 13 15 16 9 10 7 9 10 13 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 315 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C073000004000000000000000000000000016000000030400000000000005801F000001C02100000000C0AC11E2432C0F2C99000A003246244008280202107200899A03866980820E2C19391842008609000C8C8071080C00E80004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1<I>H</I>-indole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloranyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BPPGPYJBCVXILI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 246.0923762 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H15ClN2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 246.73 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 27.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 246.0923762 17 0 0 0 0 0 0 0 1 1