70678258 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 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 2 3 4 4 5 5 5 6 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 14 13 15 27 9 23 7 8 22 7 8 9 16 17 18 19 20 10 21 11 12 13 24 14 25 15 15 26 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 9 4 6 10 21 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 3 4.732 0 3.866 6.8228 5.5981 5.8569 6.564 4.732 4.732 3.866 5.5981 3.866 5.5981 4.732 5.1062 6.0174 5.258 6.4035 7.1629 4.732 7.3598 3.866 3.3291 6.135 6.135 1 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 4.8774 6.0648 5.6264 3.6423 4.0807 4.62 5.5171 5.12 2.81 2.81 1.19 2.7824 3 8 8 8 8 8 8 9 10 10 11 12 13 14 4 11 12 13 14 15 15 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 199 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 00000371C0722000060000000000000000000000580000000000300000000000000000010000001E02100800000D16E19826300082C00200800220420000020000200500088AC0080A8808362281931084700026D00108980790C0E00E04000020000000040800004000000008000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-azetidinyl-(3,4-dichlorophenyl)methanol;hydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H11Cl2NO.ClH/c11-8-2-1-6(3-9(8)12)10(14)7-4-13-5-7;/h1-3,7,10,13-14H,4-5H2;1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FFGCXFVIKAASPQ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.998447 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H12Cl3NO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(CN1)C(C2=CC(=C(C=C2)Cl)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)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 2021.05.07 266.998447 15 1 0 1 0 0 0 0 2 -1