11174 1 2 3 4 5 6 7 8 9 10 11 8 8 7 7 7 7 6 1 1 1 1 1 -1 6 1 1 2 3 3 3 4 4 4 5 5 6 6 7 8 9 7 10 11 6 7 1 2 1 1 1 1 1 1 1 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2 2.866 5.4641 4.5981 3.732 2.866 4.5981 6.001 5.4641 5.135 4.0611 0.595 -0.905 0.595 -0.905 0.595 0.095 0.095 0.285 1.215 -1.215 -1.215 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 96.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 000003718003B0000000000000000000000000000000000000000000000000000000000000000004001C00000000000000000100004040002100000021000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitroguanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitroguanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitroguanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitroguanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitroguanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-nitroguanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IDCPFAYURAQKDZ-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 2021.10.14 104.03342538 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH4N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 104.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=N[N+](=O)[O-])(N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=N[N+](=O)[O-])(N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 110 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 104.03342538 7 0 0 0 0 0 0 0 1 -1