70678256 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 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 2 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 27 8 22 6 7 21 6 7 8 15 16 17 18 19 9 20 10 11 12 23 13 24 14 25 14 26 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 8 3 5 9 20 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 4.403 0 3.5369 6.4937 5.269 5.5278 6.2349 4.403 4.403 3.5369 5.269 3.5369 5.269 4.403 5.3499 5.6883 4.9289 6.0744 6.8338 4.403 7.0307 3.5369 3 5.8059 3 5.8059 1 0 2.7824 4.5 5.2071 4.5 5.4659 4.2412 4 3 2.5 2.5 1.5 1.5 1 3.8853 6.0648 5.6264 3.6423 4.0807 4.62 5.5171 5.12 2.81 2.81 1.19 1.19 2.7824 3 8 8 8 8 8 8 8 9 9 10 11 12 13 3 10 11 12 13 14 14 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 164 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 00000371C0722000060000000000000000000000580000000000300000000000000000010000001E02100800000D16E19826300082C00200800220420000020000200500088880080A8808362281931084700026D00108980790C0E00E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(4-chlorophenyl)methanol;hydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-azetidinyl-(4-chlorophenyl)methanol;hydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(4-chlorophenyl)methanol;hydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(4-chlorophenyl)methanol;hydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(4-chlorophenyl)methanol;hydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(4-chlorophenyl)methanol;hydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H12ClNO.ClH/c11-9-3-1-7(2-4-9)10(13)8-5-12-6-8;/h1-4,8,10,12-13H,5-6H2;1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NYTOPNHZBPMVJZ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 233.0374194 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H13Cl2NO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.12 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(CN1)C(C2=CC=C(C=C2)Cl)O.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(CN1)C(C2=CC=C(C=C2)Cl)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 2021.05.07 233.0374194 14 1 0 1 0 0 0 0 2 -1