7099 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 7 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 1 2 2 2 3 3 3 4 4 4 5 5 5 6 7 8 9 9 10 10 11 11 12 12 13 14 15 16 6 7 13 24 25 14 26 27 6 8 9 7 8 10 11 12 17 15 18 16 19 13 20 14 21 15 16 22 23 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 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 6.0682 9.5984 2.5381 6.9343 5.2022 6.9343 5.2022 6.0682 7.8282 4.3083 7.8282 4.3083 8.7343 3.4022 8.7343 3.4022 6.0682 7.821 4.3154 7.821 4.3154 9.27 2.8665 10.1365 9.596 2 2.5405 0.6953 0.7194 0.7194 -0.8047 -0.8047 0.1953 0.1953 -1.3047 -1.3394 -1.3394 0.7299 0.7299 0.2161 0.2161 -0.8256 -0.8256 -1.9247 -1.9594 -1.9594 1.3499 1.3499 -1.1376 -1.1376 0.4115 1.3394 0.4115 1.3394 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 4 5 5 5 6 7 9 10 11 12 13 14 6 7 6 8 9 7 8 10 11 12 15 16 13 14 15 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 232 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C07300000000000000000000000000000000000000003C6080000000000000B1FC00001C00100000000C08811E0030C0F2481000A003246244008280202102200898203064980820E2C0D1D1842408609000C8C8071080C00E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine-3,6-diamine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine-3,6-diamine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine-3,6-diamine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine-3,6-diamine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (6-aminoacridin-3-yl)amine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WDVSHHCDHLJJJR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 209.095297 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C13H11N3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 209.24654 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 64.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 209.095297 16 0 0 0 0 0 0 0 1 16