6347 1 2 3 4 8 7 6 1 1 2 2 3 3 4 2 2 1 1 5 255 1 2 3 4 4.269 2.5369 3.403 2 0.5 -0.5 0 -0.19 0 Compound Canonicalized 5 2021.10.14 0 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 27.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000220000000000000000000000000000000000000000000000000000000000000000006001000000000000000000000004000002800000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CHNO/c2-1-3/h2H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OWIKHYCFFJSOEH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.005813655 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CHNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.025 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=N)=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=N)=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.005813655 3 0 0 0 0 0 0 0 1 -1