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Chemical ID: 5554309
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
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Experimental Annotations
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Descriptor Annotations
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