9215 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 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 3 4 5 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 4 5 4 6 7 5 6 8 9 10 15 11 16 12 17 13 18 14 19 13 20 14 21 22 23 2 1 1 2 1 1 1 2 1 2 1 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 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 4.666 6.4188 2.9132 6.4188 2.9132 7.8678 1.4643 7.8678 1.4643 1 -0.5 -0.5 0.5 0.5 -1 -1.0347 -1.0347 1.0347 1.0347 -0.5208 -0.5208 0.5208 0.5208 -1.62 -1.6546 -1.6546 1.6546 1.6546 -0.8329 -0.8329 0.8329 0.8329 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 2 3 3 3 4 5 7 8 9 10 11 12 4 5 4 6 7 5 6 8 9 10 11 12 13 14 13 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 181 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 00000371C07200000000000000000000000000000000000000003C6080000000000000B1FC00001C00000000000C08811E0030C0F2081000A003246244008280202102200898203064980820E2C09191842008608000C8C8071080C00E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 acridine InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DZBUGLKDJFMEHC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.073499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C13H9N Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.21726 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 12.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.073499 14 0 0 0 0 0 0 0 1 1