2272 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 2 3 4 5 7 6 8 10 15 9 16 11 18 12 17 13 20 14 19 14 21 13 22 24 23 2 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 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 17 18 19 20 21 22 23 24 2.866 3.732 2.866 3.732 2 4.5981 3.732 2.866 4.5981 2 3.732 2.866 3.732 2.866 1.4631 5.135 2.3291 4.269 1.4631 5.135 4.269 2.3291 2.866 3.732 -0.25 0.25 -1.25 1.25 -1.75 1.75 -1.75 1.75 2.75 -2.75 -2.75 2.75 3.25 -3.25 -1.44 1.44 1.44 -1.44 -3.06 3.06 -3.06 3.06 -3.87 3.87 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 7 8 9 10 11 12 5 7 6 8 10 9 11 12 13 14 14 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 157 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0730000000000000000000000000000000000000000306000000000000000014000001C0008000000080881100030C08000000082002442400082000020020008880000648808202280919180200060800008C8071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenyldiazene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenyldiazene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenyldiazene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenyldiazene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 azobenzene InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DMLAVOWQYNRWNQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.084398 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C12H10N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.2212 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)N=NC2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)N=NC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 24.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.084398 14 0 0 0 0 0 0 0 1 1