Chemical ID: 7477305

Cc1c(cccc1[N+](=O)[O-])NC(=O)COc2ccccc2[N+](=O)[O-]
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue