68730775 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 17 9 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 10 10 11 12 12 13 13 14 14 11 15 9 6 9 10 7 8 22 7 16 17 18 19 9 20 21 11 12 13 14 23 15 24 15 25 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 25 2 3.732 2 3.732 3.732 4.5981 4.5981 2.866 2.866 3.732 2.866 4.5981 2.866 4.5981 3.732 4.8101 5.2087 5.2087 4.8101 2.654 2.2554 3.732 5.135 2.3291 5.135 -0.31 -3.31 0.69 0.69 2.69 1.19 2.19 2.19 1.19 -0.31 -0.81 -0.81 -1.81 -1.81 -2.31 0.6074 1.2977 2.0823 2.7726 2.7726 2.0823 3.31 -0.5 -2.12 -2.12 8 8 8 8 8 8 10 10 11 12 13 14 11 12 13 14 15 15 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 252 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07321000400000000000000000000000000000000003C4000000000000000010000001F0210000000080AC1902C30C083C00000880025525000820000210700088880886688086022C193B1D42008609600C8C8071000000000000000000000100000000000000020000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-chloro-4-fluoro-phenyl)piperazin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-chloro-4-fluorophenyl)-2-piperazinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-chloro-4-fluorophenyl)piperazin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-chloro-4-fluorophenyl)piperazin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-chloranyl-4-fluoranyl-phenyl)piperazin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-chloro-4-fluoro-phenyl)piperazin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10ClFN2O/c11-8-5-7(12)1-2-9(8)14-4-3-13-6-10(14)15/h1-2,5,13H,3-4,6H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HYVWJGNWAZHGIF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.0465688 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10ClFN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.65 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(C(=O)CN1)C2=C(C=C(C=C2)F)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(C(=O)CN1)C2=C(C=C(C=C2)F)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 32.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 228.0465688 15 0 0 0 0 0 0 0 1 -1