6817 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 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 7 8 8 8 9 9 10 10 11 12 12 13 13 14 14 15 16 11 4 5 8 6 7 6 9 7 10 11 12 17 18 19 13 20 14 21 15 16 22 15 23 16 24 25 26 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 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 6.4144 4.666 4.666 5.5321 3.8 5.5321 3.8 4.666 6.426 2.9061 6.426 2.9061 7.3321 2 7.3321 2 5.286 4.666 4.046 6.4188 2.9132 2.9132 7.8678 1.4643 7.8678 1.4643 -2.0173 1.0173 -0.9827 0.5173 0.5173 -0.4827 -0.4827 2.0173 1.052 1.052 -1.0174 -1.0174 0.5381 0.5381 -0.5035 -0.5035 2.0173 2.6373 2.0173 1.6719 1.6719 -1.6373 0.8502 0.8502 -0.8156 -0.8156 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 5 5 6 7 9 10 11 12 13 14 4 5 6 7 9 7 10 11 12 13 14 15 16 15 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 420 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C0732000000000000000000000000000000000000000304080000000000000810000001E0000000000080C81900432C083000000A801A47244008200002102000888012874D808602AC09191942008608000C8C9871000000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylphenazin-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methyl-1-phenazinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylphenazin-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylphenazin-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylphenazin-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylphenazin-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YNCMLFHHXWETLD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 210.079312947 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H10N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 210.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2N=C3C1=CC=CC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2N=C3C1=CC=CC3=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 210.079312947 16 0 0 0 0 0 0 0 1 -1