7019 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 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 1 2 2 2 3 3 3 4 4 4 6 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 6 7 5 24 25 5 6 8 5 7 9 10 11 12 16 13 17 14 18 15 19 14 20 15 21 22 23 2 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 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 4.666 4.666 3.8 5.5321 4.666 3.8 5.5321 2.9061 6.426 2.9061 6.426 2 7.3321 2 7.3321 2.9132 6.4188 2.9132 6.4188 1.4643 7.8678 1.4643 7.8678 5.203 4.1291 -1.6377 1.3623 -0.1377 -0.1377 0.3623 -1.1377 -1.1377 0.397 0.397 -1.6723 -1.6723 -0.1169 -0.1169 -1.1585 -1.1585 1.017 1.017 -2.2923 -2.2923 0.1952 0.1952 -1.4706 -1.4706 1.6723 1.6723 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 3 4 4 4 6 7 8 9 10 11 12 13 6 7 5 6 8 5 7 9 10 11 12 13 14 15 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 207 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 1 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 00000371C07300000000000000000000000000000000000000003C6080000000000000B1FC00001C00100000000C08811E0030C0F2481000A003246244008280202102200898203064980820E2C0D1D1842408608000C8C8071080C00E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-9-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-acridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-9-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-9-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-9-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-9-ylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XJGFWWJLMVZSIG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 194.084398327 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H10N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 194.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 194.084398327 15 0 0 0 0 0 0 0 1 2