10326 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 6 6 7 7 8 8 9 2 3 10 11 4 14 15 5 12 13 5 6 7 8 17 9 16 9 19 18 1 1 1 1 1 1 1 1 1 1 1 2 2 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 5.2619 4.6783 4.6783 3.732 3.732 2.866 2.866 2 2 5.7227 5.7227 4.4272 5.2156 5.2156 4.4272 2.866 2.866 1.4631 1.4631 0 0.8047 -0.8047 0.5 -0.5 1 -1 0.5 -0.5 -0.4147 0.4147 -1.3716 -1.114 1.114 1.3716 -1.62 1.62 -0.81 0.81 8 8 8 8 8 8 4 4 5 6 7 8 5 6 7 8 9 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 84.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 0 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 00000371C0700000000000000000000000000000000180000000300000000000000060010000001800000000000C008018003000800000008002204200000200002000000888000000880820228011108020002080000888070080800E80000000001000000000000000200000000008000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 indane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3-dihydro-1H-indene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3-dihydro-1H-indene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 2,3-dihydro-1H-indene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 indane InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 PQNFLJBBNBOBRQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.04.04 3.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 118.07825 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C9H10 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 118.1757 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1CC2=CC=CC=C2C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1CC2=CC=CC=C2C1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 118.07825 9 0 0 0 0 0 0 0 1 1