6351 1 2 3 4 5 6 7 8 9 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 2 3 4 5 3 6 7 8 9 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 2.866 2 2 3.2646 3.2646 1.3894 2.212 2.212 1.3894 0 -0.5 0.5 -0.4749 0.4749 -0.6077 -1.0826 1.0826 0.6077 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 4.8 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 00000371804000000000000000000000000018000000000000000000000000000000000000000018000000000008008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclopropane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclopropane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclopropane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclopropane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclopropane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H6/c1-2-3-1/h1-3H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LVZWSLJZHVFIQJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 42.04695 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 42.07974 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC1 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 42.04695 3 0 0 0 0 0 0 0 1 1