7107 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 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 2 2 2 2 3 3 4 4 5 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 5 6 3 4 15 16 6 7 5 8 10 9 12 17 11 18 13 19 14 20 14 22 13 21 23 24 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 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 4.666 4.666 3.8 5.5321 5.5321 3.8 2.9061 6.426 2.9061 6.426 7.3321 2 2 7.3321 4.2675 5.0646 2.9132 6.4188 2.9132 6.4188 1.4643 7.8678 1.4643 7.8678 1 -1 -0.5 -0.5 0.5 0.5 -1.0347 -1.0347 1.0347 1.0347 -0.5208 -0.5208 0.5208 0.5208 -1.475 -1.475 -1.6546 -1.6546 1.6546 1.6546 -0.8329 -0.8329 0.8329 0.8329 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 7 8 9 10 11 12 6 7 5 8 10 9 12 11 13 14 14 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 181 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371C0702000000000000000000000000000000000000000346080000000000000914000001A00000000000C048098003006800004008002204200000208002020000888000608880C262284311A823820A4C01108A80780C0E00E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 9H-xanthene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 9H-xanthene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 9H-xanthene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 9H-xanthene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 9H-xanthene InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 GJCOSYZMQJWQCA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.04.04 3.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 182.073165 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C13H10O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 182.2179 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1C2=CC=CC=C2OC3=CC=CC=C31 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1C2=CC=CC=C2OC3=CC=CC=C31 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 9.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 182.073165 14 0 0 0 0 0 0 0 1 1