31188 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 49 17 17 17 8 8 8 8 1 1 1 1 1 1 1 1 1 1 1 5 5 6 6 7 7 8 8 2 3 4 9 10 11 12 13 14 15 16 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 0.866 1.732 0 0.866 0.866 4.269 4.269 4.269 1.403 0.3291 4.8059 3.732 4.8059 3.732 4.8059 3.732 1.75 2.25 2.25 0.75 4.25 0 2.5 5 4.56 4.56 0.31 0.31 2.81 2.81 5.31 5.31 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371C00038000600000000010000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 trichloroindigane;tetrahydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 trichloroindigane;tetrahydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 trichloroindigane;tetrahydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 trichloroindigane;tetrahydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 tris(chloranyl)indigane;tetrahydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 trichloroindigane;tetrahydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/3ClH.In.4H2O/h3*1H;;4*1H2/q;;;+3;;;;/p-3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UKCIUOYPDVLQFW-UHFFFAOYSA-K Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.852696 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Cl3H8InO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 O.O.O.O.Cl[In](Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 O.O.O.O.Cl[In](Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.852696 8 0 0 0 0 0 0 0 5 -1