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Chemical ID: 4727968
Chemical ID:
4727968
Name [?]:
2-chloro-N-[2-(2,4-dichlorophenoxy)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CCl)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NO2/c15-8-14(19)18-11-3-1-2-4-13(11)20-12-6-5-9(16)7-10(12)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,14,17,10,16,18,5,13,4,8,11,20,19,7,9,12/rA:20nCCCCCCNCOCClOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s4;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67852 |
Area: | 503.629 |
Solvation: | -2.91219 |
Coulombic: | -30.1227 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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