137994 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 8 8 7 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 2 2 1 1 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 9 9 9 10 10 10 11 11 11 12 12 12 8 30 3 4 5 6 9 10 7 11 12 8 13 14 8 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 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 3.866 3.866 3.866 4.732 3 4.732 3 3.866 5.732 5.232 2 2.5 5.3426 4.9441 2.788 2.3894 4.403 5.732 6.352 5.732 4.6951 5.542 5.769 2 1.38 2 1.9631 2.19 3.0369 4.403 1.845 -2.155 -1.155 -0.655 -0.655 0.345 0.345 0.845 -0.655 -1.521 -0.655 -1.521 0.2373 0.9276 0.9276 0.2373 1.155 -1.275 -0.655 -0.035 -1.831 -2.058 -1.211 -0.035 -0.655 -1.275 -1.211 -2.058 -1.831 2.155 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 159 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07230000000000000000000000000000000000000002C0000000000000000000000001E00040800000C9CA180020200021002000000000000000000000000002000000000000010020080000440000600008000011080400C00000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UZFMOKQJFYMBGY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 172.133753817 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H18NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 172.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(CC(CC(N1[O])(C)C)O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(CC(CC(N1[O])(C)C)O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 24.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 172.133753817 12 0 0 0 0 0 0 0 1 -1