Chemical ID: 4513427

CNc1ccc(cc1C(=O)Nc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
4513427
Name [?]:
2-methylamino-5-nitro-N-(4-nitrophenyl)-benzamide
SMILES [?]:
CNc1ccc(cc1C(=O)Nc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C14H12N4O5/c1-15-13-7-6-11(18(22)23)8-12(13)14(19)16-9-2-4-10(5-3-9)17(20)21/h2-8,15H,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,13,17,14,16,5,4,7,12,15,6,8,3,9,2,11,18,21,10,19,20,22,23/E:(2,3)(4,5)(20,21)(22,23)/CRV:17.5,18.5/rA:23nCNCCCCCCCONCCCCCCN+OO-N+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s6;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N4O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-0.202203
Area:513.521
Solvation:-13.0402
Coulombic:-54.4999
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:316.269
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.61
LogP (Chemaxon):3.23

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Descriptor Annotations

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