139207 1 2 3 49 17 17 1 1 2 3 1 1 1 5 255 1 2 3 2.866 3.732 2 -0.25 0.25 0.25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 2.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371000000000600000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2ClH.In/h2*1H;/q;;+2/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VOWMQUBVXQZOCU-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.8415842 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Cl2In Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.72 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 Cl[In]Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 Cl[In]Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.8415842 3 0 0 0 0 0 0 0 1 -1