10257 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 31 8 7 7 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 1 1 2 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 9 10 10 11 11 12 13 13 13 14 14 14 15 12 31 7 13 14 8 9 21 5 7 16 17 6 9 8 10 18 19 11 20 12 22 15 23 15 24 25 26 27 28 29 30 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 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 31 2.5369 7.6811 6.0812 6.3919 6.0812 5.135 7.3704 5.135 6.6648 4.269 4.269 3.403 8.6596 7.0132 3.403 6.3713 5.7781 7.391 7.9842 7.2848 6.2738 4.269 4.269 8.7874 9.2662 8.5317 7.4747 6.5992 6.5518 2.866 2 -0.1311 1.7809 -1.9358 0.6241 -0.3264 -0.6311 0.8304 -1.6311 -1.1311 -0.1311 -2.1311 -0.6311 1.9871 2.5252 -1.6311 1.2438 0.7115 0.2107 0.743 -1.1311 -2.5252 0.4889 -2.7511 1.3804 2.115 2.5938 2.9392 2.9866 2.1111 -1.9411 -0.4411 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 8 10 11 12 8 9 6 9 8 10 11 12 15 15 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 208 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E073200000000000000000000000000000016000000030000000000000005801F000001E00100800000C0CC19E043EC6F3C99200A0033467440082802031222008D9A03E6C980826E2C2919384700864D011C8D807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 VTTONGPRPXSUTJ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 204.126263 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C12H16N2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 204.26824 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CCC1=CNC2=C1C=C(C=C2)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)CCC1=CNC2=C1C=C(C=C2)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 39.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 204.126263 15 0 0 0 0 0 0 0 1 9