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Chemical ID: 4251165
Chemical ID:
4251165
Name [?]:
N-[2-[2-(2,4,5-trichlorophenoxy)acetyl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccccc1NC(=O)COc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl3N2O3/c1-9(22)20-13-4-2-3-5-14(13)21-16(23)8-24-15-7-11(18)10(17)6-12(15)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,20,17,14,2,19,18,21,5,10,16,12,23,24,22,4,11,3,13,15/rA:24nCCONCCCCCCNCOCOCCCCCCClClCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl3N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07631 |
Area: | 588.765 |
Solvation: | -5.6428 |
Coulombic: | -47.0571 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 387.644 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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