Chemical ID: 5554309

c1cc(ccc1NC(=O)COc2cc(c(cc2Cl)Cl)Cl)[N+](=O)[O-]
Chemical ID:
5554309
Name [?]:
N-(4-nitrophenyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)COc2cc(c(cc2Cl)Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H9Cl3N2O4/c15-10-5-12(17)13(6-11(10)16)23-7-14(20)18-8-1-3-9(4-2-8)19(21)22/h1-6H,7H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,13,10,6,3,15,14,17,12,8,19,20,18,7,21,9,22,23,11/E:(1,2)(3,4)(21,22)/CRV:19.5/rA:23nCCCCCCNCOCOCCCCCCClClClN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9Cl3N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.27778
Area:567.294
Solvation:-9.90458
Coulombic:-38.9805
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.59
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.31
LogP (Chemaxon):4.38

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