6334 1 2 3 4 5 6 7 8 9 10 11 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 2 3 4 5 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.866 3.732 2 2.4675 3.2646 4.042 4.269 3.422 2.31 1.4631 1.69 -0.25 0.25 0.25 -0.7249 -0.7249 -0.2869 0.56 0.7869 0.7869 0.56 -0.2869 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 0 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 00000371C04000000000000000000000000000000000000000000000000000000000000000000018000000000008008000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 propane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 propane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 propane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 propane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 n-propane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ATUOYWHBWRKTHZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 44.0626 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H8 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 44.09562 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCC 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 44.0626 3 0 0 0 0 0 0 0 1 1