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Chemical ID: 6678326
Chemical ID:
6678326
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-(2,5-dichlorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1SCC(=O)Nc2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,4,15,1,5,16,13,8,3,14,6,17,12,9,20,19,18,11,10,7/E:(1,2)(4,5)/rA:20nCCCCCCSCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.985 |
Area: | 537.81 |
Solvation: | -2.46023 |
Coulombic: | -23.1428 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.659 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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