69510 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 8 8 8 7 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 1 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 11 11 12 14 14 14 15 15 15 10 24 12 14 13 15 8 9 22 6 7 11 8 16 17 9 10 18 19 20 21 12 13 23 13 25 26 27 28 29 30 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 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 28 29 30 4.5981 2.866 2.866 7.2641 5.4641 6.358 5.4641 7.2641 6.358 4.5981 4.5981 3.732 3.732 2 2.866 6.7517 5.9534 7.875 7.4732 5.9534 6.7517 7.7998 4.5981 4.0611 2.31 1.4631 1.69 3.486 2.866 2.246 -1.845 -0.845 1.155 -0.3658 0.655 1.1897 -0.345 0.6758 -0.8797 -0.845 1.155 -0.345 0.655 -0.345 2.155 1.6687 1.6594 0.5697 1.2595 -1.3494 -1.3587 -0.6779 1.775 -2.155 0.1919 -0.035 -0.8819 2.155 2.775 2.155 8 8 8 8 8 8 5 5 7 10 11 12 7 11 10 12 13 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 212 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C07230000000000000000000000000000000000000003C4000000000000000B10000001E00100800000C04C19806320682C006008002204200008208002020000088800E8C880D272286B11B84702B67D0158BB807B0F0BE0EA0000108001840004000021000308000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DVQVXTPSJBCBJI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 209.105193 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H15NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 209.2417 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=C(C(=C2CNCCC2=C1)O)OC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=C(C(=C2CNCCC2=C1)O)OC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 50.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 209.105193 15 0 0 0 0 0 0 0 1 9