2723598 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 30 17 8 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 2 2 3 3 4 4 4 5 5 5 6 6 6 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 30 28 29 8 9 7 26 27 7 8 10 7 9 11 12 13 14 18 15 19 16 20 17 21 16 22 17 23 24 25 1 1 1 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 26 27 28 29 30 2.7018 3.2018 3.2018 3.2018 4.0678 2.3358 3.2018 4.0678 2.3358 4.9617 1.4418 4.9617 1.4418 5.8678 0.5357 5.8678 0.5357 4.9546 1.449 4.9546 1.449 6.4035 0 6.4035 0 3.7387 2.6648 3.7387 2.6648 3.7018 0 2.5612 5.7771 8.7771 7.2771 7.2771 7.7771 6.2771 6.2771 7.8117 7.8117 5.7424 5.7424 7.2979 7.2979 6.2562 6.2562 8.4317 8.4317 5.1224 5.1224 7.61 7.61 5.9442 5.9442 9.0871 9.0871 2.8712 2.8712 0 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 5 6 6 6 8 9 10 11 12 13 14 15 8 9 7 8 10 7 9 11 12 13 14 15 16 17 16 17 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 207 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C07320000400000000000000000000000000000000003C6080000000000000B1FC00001C00100800000C08811E0030C0F2481000A003246244008280202102200898203064980820E2C0D1D1842408608000C8C8071080C00E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 acridin-9-amine;hydrate;hydrochloride IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 9-acridinamine;hydrate;hydrochloride IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 acridin-9-amine;hydrate;hydrochloride IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 acridin-9-amine;hydrate;hydrochloride IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 acridin-9-ylamine;hydrate;hydrochloride InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C13H10N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H2,14,15);1H;1H2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 OREJEGKBQBIJSJ-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 248.071641 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C13H13ClN2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 248.70812 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 39.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 248.071641 17 0 0 0 0 0 0 0 3 2