74089 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 17 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 5 6 9 10 7 11 12 8 13 14 15 16 1 1 2 1 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 7.1962 2 2.866 4.5981 5.4641 3.732 6.3301 2.866 4.1996 4.9966 5.8626 5.0656 4.1306 3.3335 5.9316 6.7287 0.75 0.75 -0.75 0.25 0.75 0.75 0.25 0.25 -0.2249 -0.2249 1.225 1.225 1.225 1.225 -0.2249 -0.2249 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 72.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0602000060000000000000000000000000000000000000000000000000000000000001A020000000008038080400000000000000800401800000000000000000000010002000000120100000000000000000000000800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5-chloropentanoyl chloride IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5-chloropentanoyl chloride IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5-chloropentanoyl chloride IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5-chloranylpentanoyl chloride IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5-chlorovaleryl chloride InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SVNNWKWHLOJLOK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.99522 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H8Cl2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 155.02242 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CCCl)CC(=O)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CCCl)CC(=O)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 17.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 153.99522 8 0 0 0 0 0 0 0 1 1