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Chemical ID: 6909954
Chemical ID:
6909954
Name [?]:
2-phenylsulfanyl-N-(2,4,6-trichlorophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-9-6-11(16)14(12(17)7-9)18-13(19)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,16,8,15,4,13,17,9,12,19,20,18,11,10,7/E:(2,3)(4,5)(6,7)(11,12)(16,17)/rA:20nCCCCCCSCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NOS |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4464 |
Area: | 528.671 |
Solvation: | -2.77032 |
Coulombic: | -22.6664 |
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): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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