3032552 1 2 3 8 8 7 1 2 1 2 3 3 1 2 1 5 255 1 2 3 3.732 2 2.866 0.25 0.25 -0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7.5 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 0 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 00000371000230000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000040000100000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/NO2/c2-1-3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JCXJVPUVTGWSNB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 45.992903243 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 46.006 ReferenceStandardization Structure 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Bypass - this structure was created from CID 3032552 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(=O)[O] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(=O)[O] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 45.992903243 3 0 0 0 0 0 0 0 1 -1