9991554 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 34 35 36 37 8 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 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 11 12 13 13 13 14 14 14 15 15 16 16 17 12 37 4 8 9 10 11 27 5 18 19 6 20 21 7 11 10 12 13 22 23 14 24 25 15 26 16 28 29 30 31 32 33 17 34 17 35 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 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 33 34 35 36 37 2.866 6.2781 4.6783 5.9674 4.9889 4.6783 3.732 7.2566 5.6103 3.732 5.2619 2.866 7.5673 5.9209 2.866 2 2 5.988 6.5812 4.9684 4.3751 7.2772 7.8704 5.0633 5.2277 5.8819 4.8709 8.1566 7.7599 6.978 6.5102 6.1135 5.3316 2.866 1.4631 1.4631 2.3291 0.3936 1.3056 -2.4111 0.3551 0.1489 -0.8016 -1.1064 1.5118 2.0499 -2.1064 -1.6064 -0.6064 2.4623 3.0004 -2.6064 -1.1064 -2.1064 -0.2646 0.2677 0.7685 0.2362 0.8922 1.4245 2.3419 1.562 -1.6064 -3.0004 2.2697 3.0517 2.655 2.8078 3.5898 3.193 -3.2264 -0.7964 -2.4164 0.7036 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 7 10 12 15 16 10 11 7 11 10 12 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 230 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E073200000000000000000000000000000016000000030000000000000005801F000001E00100800000C0CC19E043EC6F3C99200A0033467440082802031222008D9A03E6C980826E2C2919384700866D019C8D807B0D0E30E80000002000A00000000000400140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-(diethylamino)ethyl]-1H-indol-4-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-(diethylamino)ethyl]-1H-indol-4-ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-(diethylamino)ethyl]-1<I>H</I>-indol-4-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-(diethylamino)ethyl]-1H-indol-4-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-(diethylamino)ethyl]-1H-indol-4-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-(diethylamino)ethyl]-1H-indol-4-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OHHYMKDBKJPILO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.157563266 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H20N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCC1=CNC2=C1C(=CC=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCC1=CNC2=C1C(=CC=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 39.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.157563266 17 0 0 0 0 0 0 0 1 -1