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Chemical ID: 7969840
Chemical ID:
7969840
Name [?]:
2-(2,5-dichlorophenoxy)thioacetamide
SMILES [?]:
c1cc(c(cc1Cl)OCC(=S)N)Cl
InChi [?]:
InChI=1/C8H7Cl2NOS/c9-5-1-2-6(10)7(3-5)12-4-8(11)13/h1-3H,4H2,(H2,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,6,3,4,10,7,13,12,8,11/rA:13nCCCCCCClOCCSNCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;d10;s10;s3;/rC:-.0167,1.3793,.0096;1.17,2.0891,.0021;2.378,1.4178,-.0135;2.3995,.0293,-.0212;1.2085,-.6803,-.0132;.0021,-.0041,.002;-1.4897,-.8918,.0126;3.5864,-.633,-.037;3.2804,-2.0288,-.0414;4.5606,-2.8237,-.0588;5.9702,-2.0689,-.0693;4.5174,-4.1707,-.0656;3.8674,2.3097,-.0241;
Chemical Details
Atom Count
Formula: | C8H7Cl2NOS |
All Atoms: | 20 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.61127 |
Area: | 397.273 |
Solvation: | -2.32055 |
Coulombic: | -25.7871 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 236.119 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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