68794 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 38 17 8 8 8 7 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 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 14 14 14 15 15 16 16 17 17 18 19 19 20 18 6 12 7 15 13 6 13 30 7 8 9 21 10 22 23 11 24 25 11 26 27 28 29 13 14 31 32 33 34 16 17 18 35 19 36 20 20 37 38 1 1 1 1 1 2 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 1 1 1 2 1 2 1 1 1 6 2 5 7 8 3 1 7 3 6 9 21 3 1 12 2 13 14 31 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 34 35 36 37 38 2 5.5878 5 7.3479 5.5878 5 4.5 4.5 3.5 3.5 3 6.5388 6.5388 7.3479 4.5 3.5 5 3 4.5 3.5 4.19 5.0826 4.3923 2.9174 3.6077 3.6077 2.9174 2.525 2.525 5.3962 6.4418 6.9834 7.8494 7.7123 3.19 5.62 4.81 3.19 -1.9984 0.6567 -0.2663 2.5535 2.2747 1.4657 0.5997 2.3318 0.5997 2.3318 1.4657 0.9657 1.9657 0.3779 -1.1324 -1.1324 -1.9984 -1.9984 -2.8644 -2.8644 0.0628 2.5438 2.9423 0.3876 -0.0109 2.9423 2.5438 1.8643 1.0672 2.8644 0.3534 -0.1236 0.0135 0.8795 -0.5954 -1.9984 -3.4013 -3.4013 3 3 3 8 8 8 8 8 8 6 7 12 15 15 16 17 18 19 8 3 14 16 17 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 378 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723000040000000000000000000000000160000000306000000000000000010000001E0210000000081EA19022320682C00400880021521002020800202500088801460A890F262285B31E8F3820A4D4119AA807904000000000000100000000000000020000A000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(3-chloranylphenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H18ClNO3/c1-10-14(18)17-15(20-10)8-3-2-7-13(15)19-12-6-4-5-11(16)9-12/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PSHBCUHYCLAGPZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.0975211 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H18ClNO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.76 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1C(=O)NC2(O1)CCCCC2OC3=CC(=CC=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1C(=O)NC2(O1)CCCCC2OC3=CC(=CC=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 47.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.0975211 20 3 0 3 0 0 0 0 1 -1