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Chemical ID: 7477305
Chemical ID:
7477305
Name [?]:
N-(2-methyl-3-nitro-phenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])NC(=O)COc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13N3O6/c1-10-11(5-4-7-12(10)17(20)21)16-15(19)9-24-14-8-3-2-6-13(14)18(22)23/h2-8H,9H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,5,4,20,6,17,14,2,3,7,21,16,12,11,8,22,13,9,10,23,24,15/E:(20,21)(22,23)/CRV:17.5,18.5/rA:24nCCCCCCCN+OO-NCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N3O6 |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -3.98079 |
Area: | 524.119 |
Solvation: | -17.0838 |
Coulombic: | -48.6701 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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