65237 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 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 2 2 3 3 4 5 5 6 6 7 7 8 9 9 10 10 11 11 12 12 13 14 15 15 15 16 16 16 3 11 4 12 4 5 6 7 9 8 10 8 17 18 13 19 14 20 13 15 14 16 21 22 23 24 25 26 27 28 1 2 1 2 1 2 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 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 3.7702 5.5141 4.6641 5.5301 4.6641 6.3961 5.5301 6.3961 3.7702 7.3062 2.8641 6.4121 2.8641 7.3142 2 6.4082 5.5301 6.9331 3.7773 7.8395 2.3284 7.8523 2.3121 1.4643 1.6879 7.0282 6.4059 5.7882 -0.2326 0.7742 -0.7673 -0.2673 -1.7673 -0.7673 -2.2673 -1.7673 -2.302 -0.2604 -0.7465 1.302 -1.7881 0.7811 -0.2431 2.302 -2.8873 -2.0773 -2.9219 -0.5766 -2.1002 1.0891 0.2926 0.0689 -0.7789 2.3044 2.922 2.2996 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 4 5 5 6 6 7 9 10 11 12 3 11 4 12 4 5 6 7 9 8 10 8 13 14 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 227 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07300000000000000000000000000000000000000003C5880000000000000B1FE00001C00000000000C08811E0032C0F2081000A003246244008280242112200898203074980860E2C09191942008608000C8C8071080C00E40000040000200208000008000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,9-dimethyl-1,10-phenanthroline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,9-dimethyl-1,10-phenanthroline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,9-dimethyl-1,10-phenanthroline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,9-dimethyl-1,10-phenanthroline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,9-dimethyl-1,10-phenanthroline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,9-dimethyl-1,10-phenanthroline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IYRGXJIJGHOCFS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.100048391 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.100048391 16 0 0 0 0 0 0 0 1 -1