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Chemical ID: 6157954
Chemical ID:
6157954
Name [?]:
N-(3-chloro-4-cyano-phenyl)-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)COc2ccc(cc2Cl)Cl)Cl)C#N
InChi [?]:
InChI=1/C15H9Cl3N2O2/c16-10-2-4-14(13(18)5-10)22-8-15(21)20-11-3-1-9(7-19)12(17)6-11/h1-6H,8H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,14,1,13,16,5,21,10,3,15,6,4,17,12,8,19,20,18,22,7,9,11/rA:22nCCCCCCNCOCOCCCCCCClClClCN/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s4;s3;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl3N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11229 |
Area: | 558.27 |
Solvation: | -4.84446 |
Coulombic: | -31.5218 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.602 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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