60196432 1 2 3 4 5 6 7 8 9 10 49 17 17 17 8 8 1 1 1 1 1 1 1 5 5 6 6 2 3 4 7 8 9 10 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 3.9399 4.8059 3.0739 3.9399 0.5369 3.9399 1.0739 0 4.4768 3.403 1 1.5 1.5 0 1.75 3.5 2.06 2.06 3.81 3.81 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371800030000600000000010000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 trichloroindigane;dihydrate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 trichloroindigane;dihydrate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 trichloroindigane;dihydrate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 tris(chloranyl)indigane;dihydrate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 trichloroindigane;dihydrate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/3ClH.In.2H2O/h3*1H;;2*1H2/q;;;+3;;/p-3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 CDMSGDWIWMVTBA-UHFFFAOYSA-K Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 255.831565 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 Cl3H4InO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 257.20756 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 O.O.Cl[In](Cl)Cl SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 O.O.Cl[In](Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 255.831565 6 0 0 0 0 0 0 0 3 1