3712 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 7 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 4 5 6 7 7 8 8 9 9 10 10 11 8 20 5 6 13 4 5 7 6 8 9 12 10 14 15 16 11 17 11 18 19 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 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 5.9674 4.6783 3.732 4.6783 3.732 5.2619 2.866 4.9889 2.866 2 2 5.8819 4.8709 2.866 4.9684 4.3751 2.866 1.4631 1.4631 6.16 1.3831 -1.3831 -0.0784 0.2264 -1.0784 -0.5784 0.4216 1.1769 -1.5784 -0.0784 -1.0784 -0.5784 -1.9724 1.0416 1.7965 1.2642 -2.1984 0.2316 -1.3884 1.9724 8 8 8 8 8 8 8 8 8 8 2 2 3 3 3 4 5 7 9 10 5 6 4 5 7 6 9 10 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 138 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C072200000000000000000000000000000016000000030000000000000005801F000001E00100800000C08E19E063CC0F2C99200A0033467440082802031022008D9A0386C980836E2C0919184700866D001C8D807B0C0E00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1H-indol-3-ylmethanol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1H-indol-3-ylmethanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1H-indol-3-ylmethanol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1H-indol-3-ylmethanol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1H-indol-3-ylmethanol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 IVYPNXXAYMYVSP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.068414 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H9NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.17386 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)C(=CN2)CO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C(=C1)C(=CN2)CO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 36 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.068414 11 0 0 0 0 0 0 0 1 1