24812 1 2 3 4 49 17 17 17 1 1 1 2 3 4 1 1 1 1 5 255 1 2 3 4 2.866 3.732 2 2.866 0.25 0.75 0.75 -0.75 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371000000000600000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloroindigane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloroindigane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloroindigane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 tris(chloranyl)indigane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 trichloroindigane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/3ClH.In/h3*1H;/q;;;+3/p-3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PSCMQHVBLHHWTO-UHFFFAOYSA-K Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 219.810436 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 Cl3In Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 221.177 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 Cl[In](Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 Cl[In](Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 219.810436 4 0 0 0 0 0 0 0 1 1