4465355 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 8 7 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 1 1 1 2 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 35 11 33 34 4 5 13 14 6 15 16 7 17 18 8 19 20 9 21 22 10 23 24 11 25 26 12 27 28 29 30 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2.5369 12.0632 7.7331 6.8671 8.5991 6.001 9.4651 5.135 10.3312 4.269 11.1972 3.403 8.1316 7.3346 6.4685 7.2656 8.2006 8.9976 6.3996 5.6025 9.8637 9.0666 4.7365 5.5335 9.9326 10.7297 4.6675 3.8705 11.5957 10.7987 3.0044 3.8015 12.6002 12.0632 2 0.56 0.06 0.56 0.06 0.06 0.56 0.56 0.06 0.06 0.56 0.56 0.06 1.035 1.035 -0.4149 -0.4149 -0.4149 -0.4149 1.035 1.035 1.035 1.035 -0.4149 -0.4149 -0.4149 -0.4149 1.035 1.035 1.035 1.035 -0.4149 -0.4149 0.37 -0.56 0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.2 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0722000000000000000000000000000000000000000000000000000000000000000001E00100800000800E1800600000040020000000000000000000000000000008000000000100200800000400004100000000190C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-aminodecan-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-amino-1-decanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-aminodecan-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-aminodecan-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-azanyldecan-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-aminodecan-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H23NO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SWVSKCPPMNGBGL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 173.177964357 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H23NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 173.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CCCCCO)CCCCN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CCCCCO)CCCCN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 173.177964357 12 0 0 0 0 0 0 0 1 1