11385 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 5 6 7 8 8 9 9 10 11 11 12 12 13 14 14 15 5 6 10 24 25 5 7 8 6 7 11 9 12 16 13 17 10 18 13 14 19 15 20 21 15 22 23 2 1 1 1 1 1 2 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 2 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 8.1962 5.5321 3.8 5.5321 3.8 4.666 6.426 6.426 7.3321 2.9061 2.9061 7.3321 2 2 4.666 6.4188 6.4188 2.9132 2.9132 7.8678 1.4643 1.4643 8.7343 8.1938 0.6953 0.7194 -0.8047 -0.8047 0.1953 0.1953 -1.3047 -1.3394 0.7299 0.2161 -1.3394 0.7299 -0.8256 -0.8256 0.2161 -1.9247 -1.9594 1.3499 -1.9594 1.3499 -1.1376 -1.1376 0.5281 0.4115 1.3394 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 3 4 4 4 5 6 8 9 10 11 12 14 5 6 5 7 8 6 7 11 9 12 13 10 13 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 229 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 00000371C07300000000000000000000000000000000000000003C6080000000000000B1FC00001C00100000000C08811E0030C0F2481000A003246244008280202102200898203064980820E2C0D1D1842408609000C8C8071080C00E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-3-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-acridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-3-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-3-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-3-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 acridin-3-ylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GHCKERHPOQWERJ-UHFFFAOYSA-N Log P XLogP3 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 -1