82758 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 6 6 7 7 8 8 9 10 11 12 13 13 13 10 13 12 5 9 15 5 6 7 8 9 12 10 14 11 16 17 11 18 19 20 21 22 1 1 2 1 1 1 2 1 1 1 2 1 2 1 2 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 2.866 7.6995 6.4103 5.4641 5.4641 6.4103 4.5981 4.5981 6.9939 3.732 3.732 6.721 2 4.5981 6.6029 4.5981 7.6139 3.1951 6.3069 1.69 1.4631 2.31 0.5887 1.5501 -1.2161 0.0887 -0.9113 0.3934 0.5887 -1.4113 -0.4113 0.0887 -0.9113 1.3439 0.0887 1.2087 -1.8054 -2.0313 -0.4113 -1.2213 1.8054 0.6256 -0.2213 -0.4483 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 6 7 8 10 5 9 5 6 7 8 9 10 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 195 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C072300000000000000000000000000000016000000030000000000000005801F000001E00100000000C0CE19E063EC6F2C99400A8033C77C40082882035222008D9A13E6CD80C26FAC4B59B8431A864D011C8E9C7BCDCF2CE80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5-methoxy-1H-indole-3-carbaldehyde IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5-methoxy-1H-indole-3-carboxaldehyde IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5-methoxy-1H-indole-3-carbaldehyde IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5-methoxy-1H-indole-3-carbaldehyde IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5-methoxy-1H-indole-3-carbaldehyde InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 TUWARWGEOHQXCO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 175.063329 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H9NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 175.18396 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC2=C(C=C1)NC=C2C=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 COC1=CC2=C(C=C1)NC=C2C=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 42.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 175.063329 13 0 0 0 0 0 0 0 1 3