Chemical ID: 6984958

Cc1cc(ccc1NC(=O)COc2ccc(cc2)OC)[N+](=O)[O-]
Chemical ID:
6984958
Name [?]:
2-(4-methoxyphenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2ccc(cc2)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O5/c1-11-9-12(18(20)21)3-8-15(11)17-16(19)10-23-14-6-4-13(22-2)5-7-14/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,5,15,17,14,18,6,3,11,2,4,16,13,7,9,8,21,10,22,23,19,12/E:(4,5)(6,7)(20,21)/CRV:18.5/rA:23nCCCCCCCNCOCOCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O5
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:2.62256
Area:528.376
Solvation:-10.5868
Coulombic:-45.8719
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:316.309
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.59
LogP (Chemaxon):2.39

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