24640 1 2 53 17 1 2 1 1 5 255 1 2 3 2 0 0 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371000000000402000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/ClI/c1-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QZRGKCOWNLSUDK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.87333 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 ClI Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 162.36 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 ClI SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 ClI Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.87333 2 0 0 0 0 0 0 0 1 -1