1318 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 7 7 6 6 6 6 6 6 6 6 6 6 6 6 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 3 13 4 14 4 5 6 7 9 8 10 8 15 16 11 17 12 18 13 19 14 20 21 22 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 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 4.65 2.9061 4.666 3.8 5.5321 3.8 5.5321 4.666 6.4421 2.9061 6.4501 2 5.548 2 6.069 4.666 6.9754 2.9132 6.9882 1.4643 5.5456 1.4643 1.2742 0.2674 0.2327 -0.2673 -0.2673 -1.2673 -1.2673 -1.7673 0.2395 -1.802 1.2812 -1.2881 1.802 -0.2465 -1.5773 -2.3873 -0.0766 -2.4219 1.5891 -1.6002 2.422 0.0656 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 13 4 14 4 5 6 7 9 8 10 8 11 12 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 183 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 00000371C07300000000000000000000000000000000000000003C5880000000000000B1FE00001C00000000000C08C11E043CC0F2081000A0033467440082802431122008D8203874980860E2C09191942008608000C8C8071080C00E40000040000200208000008000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,10-phenanthroline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,10-phenanthroline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,10-phenanthroline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,10-phenanthroline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,10-phenanthroline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,10-phenanthroline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DGEZNRSVGBDHLK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.068748264 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H8N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 180.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 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 2021.10.14 180.068748264 14 0 0 0 0 0 0 0 1 -1