7045 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 6 6 7 7 8 9 9 10 3 9 4 10 4 5 6 7 11 8 12 8 13 14 10 15 16 1 2 1 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 4.626 4.626 3.732 3.732 2.866 2.866 2 2 5.5321 5.5321 2.866 2.866 1.4631 1.4631 6.0678 6.0678 -1.0347 1.0347 -0.5 0.5 -1 1 -0.5 0.5 -0.5208 0.5208 -1.62 1.62 -0.81 0.81 -0.8329 0.8329 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 4 5 6 7 9 3 9 4 10 4 5 6 7 8 8 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 99.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 00000371807300000000000000000000000000000000000000003C4000000000000000B1F000001C00000000000808C116043CC0B2081000A0013467440082802431122008D8203874980860E2C09191942008608000C8C8071000000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 quinoxaline IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 quinoxaline IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 quinoxaline IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 quinoxaline IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 quinoxaline InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XSCHRSMBECNVNS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.053098 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H6N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.14664 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)N=CC=N2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)N=CC=N2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 25.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.053098 10 0 0 0 0 0 0 0 1 1