70678118 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 17 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 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 27 7 21 5 6 20 5 6 7 14 15 16 17 18 8 19 9 10 11 22 12 23 13 24 13 25 26 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 1 7 2 4 8 19 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 6.0307 0.5369 3.4937 2.269 2.5278 3.2349 1.403 1.403 0.5369 2.269 0.5369 2.269 1.403 1.7771 2.6883 1.9289 3.0744 3.8338 1.403 4.0307 0.5369 0 2.8059 0 2.8059 1.403 7.0307 2.5924 4.12 4.8271 4.12 5.0859 3.8612 3.62 2.62 2.12 2.12 1.12 1.12 0.62 4.4974 5.6848 5.2464 3.2623 3.7007 4.24 5.1371 4.74 2.43 2.43 0.81 0.81 0 2.5924 3 8 8 8 8 8 8 7 8 8 9 10 11 12 2 9 10 11 12 13 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 139 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0722000040000000000000000000000580000000000300000000000000000010000001E00100800000D14E19806300082C0020080022042000002000020000008888008088808362280911084700026D00108980790C0E00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl(phenyl)methanol;hydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-azetidinyl(phenyl)methanol;hydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl(phenyl)methanol;hydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl(phenyl)methanol;hydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl(phenyl)methanol;hydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl(phenyl)methanol;hydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H13NO.ClH/c12-10(9-6-11-7-9)8-4-2-1-3-5-8;/h1-5,9-12H,6-7H2;1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ABCUTHOEKRCYIS-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.0763918 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H14ClNO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(CN1)C(C2=CC=CC=C2)O.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(CN1)C(C2=CC=CC=C2)O.Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 32.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.0763918 13 1 0 1 0 0 0 0 2 -1