16837 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 7 8 8 9 9 10 11 11 12 12 13 14 14 15 15 16 17 18 18 18 19 19 19 8 18 3 6 11 7 29 30 9 34 35 7 12 10 14 15 10 13 20 16 17 13 21 22 16 23 17 24 25 26 19 27 28 31 32 33 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 2 1 1 1 1 2 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 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 3.732 8.0622 7.1962 9.7942 11.5263 8.9282 9.7942 4.5981 10.6603 10.6603 6.3301 8.9282 9.7942 5.4641 4.5981 6.3301 5.4641 2.866 2 11.1972 8.3913 9.7942 5.4641 4.0611 6.8671 5.4641 2.4675 3.2646 10.3312 9.2573 2.31 1.4631 1.69 11.5263 12.0632 2.06 0.56 0.06 1.56 -1.44 0.06 0.56 1.56 -0.94 0.06 0.56 -0.94 -1.44 2.06 0.56 1.56 0.06 1.56 2.06 0.37 -1.25 -2.06 2.68 0.25 1.87 -0.56 1.085 1.085 1.87 1.87 2.5969 2.37 1.5231 -2.06 -1.13 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 8 9 9 11 11 12 14 15 7 12 10 14 15 10 13 16 17 13 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 289 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E073A000000000000000000000000000000000000000306000000000000000014000001E0018000000080CA1900232C680400400820024424000820800202200088800067C880C662284F1DB823820E4D01108E807B040000000408000040000200081000008000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethoxyphenyl)azobenzene-1,3-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethoxyphenyl)azobenzene-1,3-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(4-ethoxyphenyl)diazenyl]benzene-1,3-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3-amino-4-p-phenetylazo-phenyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GAWOVNGQYQVFLI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.13241115 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H16N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.13241115 19 0 0 0 0 0 0 0 1 12