4222770 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 8 8 8 8 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 3 -1 6 1 7 1 1 2 3 4 5 5 6 7 8 8 8 9 9 9 10 11 12 13 14 14 15 15 16 16 17 18 18 19 20 21 21 21 6 6 7 7 10 11 13 17 10 12 13 11 12 14 15 18 22 19 16 23 17 24 20 21 19 20 26 25 27 28 29 30 1 2 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 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 26 27 28 29 30 8.1387 6.4068 9.0564 9.9282 5.5301 7.2785 9.0602 6.3961 4.6641 6.3961 4.6641 5.5301 7.2901 3.7702 7.2901 2.8641 8.1962 3.7702 8.1962 2.8641 2 5.5301 3.7773 7.2829 8.7319 3.7773 2.3284 2.3121 1.4643 1.6879 2.2844 2.2643 -2.2844 -0.7877 -1.2602 1.7744 -1.2844 0.2398 0.2398 -0.7602 -0.7602 0.7398 0.7744 0.7744 -1.2949 0.2606 -0.781 -1.2949 0.2606 -0.781 0.7639 1.3598 1.3944 -1.9148 0.5727 -1.9148 -1.0931 1.2997 1.076 0.2282 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 8 8 8 9 9 9 10 11 13 14 15 16 17 18 10 11 10 12 13 11 12 14 15 18 19 16 17 20 19 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 433 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07338000000000000000000000000000000000000003C6080000000000000B1FC00001C00040000000C08811E0032C0F2185000A1032462470082802021022028982030649A0820E2C0D1D1842408608000C8C8071080C00E08000200040200001000040008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methyl-1,3-dinitro-acridine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methyl-1,3-dinitroacridine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methyl-1,3-dinitroacridine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methyl-1,3-dinitroacridine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methyl-1,3-dinitro-acridine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-methyl-1,3-dinitro-acridine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H9N3O4/c1-8-2-3-12-9(4-8)5-11-13(15-12)6-10(16(18)19)7-14(11)17(20)21/h2-7H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JMJJVRWXOLWQEO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.05930578 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H9N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N=C2C=C1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=CC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N=C2C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 105 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.05930578 21 0 0 0 0 0 0 0 1 -1