13118 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 26 27 28 29 30 31 32 33 34 35 36 37 38 8 8 8 8 8 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 3 -1 4 -1 7 1 8 1 1 1 2 2 3 4 5 6 7 8 9 9 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 23 24 25 13 22 14 23 7 8 7 8 22 23 10 19 26 26 35 36 26 37 38 15 17 16 18 20 27 21 28 24 29 25 30 20 21 31 32 24 25 33 34 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 15 13 27 20 19 31 3 1 16 14 28 21 19 32 3 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 26 27 28 29 30 31 32 33 34 35 36 37 38 9.3244 3.5897 11.8276 3.159 11.2924 2 11.0844 2.9511 5.127 4.1759 2.4817 3.6407 8.5154 4.5032 7.5643 4.7111 8.8244 5.1724 5.8701 6.8212 5.6622 10.1334 3.6942 9.8244 4.6724 3.4328 7.4354 4.2504 8.4599 5.789 6.9501 6.1229 10.1888 4.9245 2.021 2.3528 3.1799 4.2303 0.8069 -1.2262 1.7548 -3.868 0.1075 -2.5809 1.0857 -2.8899 2.1149 1.8059 2.166 3.4532 1.3947 -0.8195 1.0857 0.1586 2.3458 -1.5627 1.4458 1.7548 0.4676 1.3947 -2.2208 2.3458 -2.4287 2.475 0.4792 0.5735 2.8474 -1.4978 2.3613 0.0528 2.8474 -2.9951 2.5809 1.5596 3.868 3.6448 8 8 8 8 8 8 1 1 8 8 8 8 1 1 2 2 13 14 15 16 17 18 22 23 13 22 14 23 17 18 20 21 24 25 24 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 601 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073B80000000000000000000000000000012240000000000000000000000001E000001E001C000000080C819000318480504440A901A17273008208002C2200288801166CDA0C263284B59B8A1920E4C01108E986BC00000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[3-(5-nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]prop-2-enylidene]amino]guanidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1,5-bis(5-nitro-2-furanyl)penta-1,4-dien-3-ylideneamino]guanidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[3-(5-nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]prop-2-enylidene]amino]guanidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XQCFHQBGMWUEMY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.08183212 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12N6O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 195 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.08183212 26 0 0 0 2 0 2 0 1 3