1935 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 28 29 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 1 1 1 2 2 2 3 3 3 3 4 4 4 5 5 5 6 6 7 7 7 9 10 10 11 12 12 13 13 14 14 15 8 11 9 26 27 4 5 16 17 6 18 19 7 20 21 8 9 8 22 23 10 11 12 13 14 24 15 25 15 28 29 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 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 26 27 28 29 4.666 4.666 7.3321 6.426 7.3321 5.5321 6.426 5.5321 4.666 3.8 3.8 2.9061 2.9061 2 2 7.9429 7.5411 6.8196 6.0214 7.5411 7.9429 6.0214 6.8196 2.9132 2.9132 5.203 4.1291 1.4643 1.4643 -1.6377 1.3623 -0.1169 0.397 -1.1585 -0.1377 -1.6723 -1.1377 0.3623 -0.1377 -1.1377 0.397 -1.6723 -0.1169 -1.1585 -0.2229 0.4668 0.876 0.8668 -1.7422 -1.0524 -2.1421 -2.1514 1.017 -2.2923 1.6723 1.6723 0.1952 -1.4706 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 9 10 10 11 12 13 14 8 11 8 9 10 11 12 13 14 15 15 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 229 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 00000371C07300000000000000000000000000000000000000003C6080000000000000B1F000001C00100000000C08811E0030C0F2481000A003246244008280202102200898203064980820E2C0D1D1842408608000C8C8071080C00E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2,3,4-tetrahydroacridin-9-amine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2,3,4-tetrahydroacridin-9-amine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2,3,4-tetrahydroacridin-9-amine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2,3,4-tetrahydroacridin-9-amine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2,3,4-tetrahydroacridin-9-ylamine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YLJREFDVOIBQDA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 198.115698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C13H14N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 198.26366 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC2=NC3=CC=CC=C3C(=C2C1)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC2=NC3=CC=CC=C3C(=C2C1)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 38.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 198.115698 15 0 0 0 0 0 0 0 1 10