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Chemical ID: 6430839
Chemical ID:
6430839
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)NC(=O)CSc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-9-4-6-10(7-5-9)20-8-13(19)18-14-11(16)2-1-3-12(14)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,17,14,18,11,16,13,3,5,9,4,19,20,7,8,10,12/E:(2,3)(4,5)(6,7)(11,12)(16,17)/rA:20nCCCCCCClNCOCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3938 |
Area: | 527.82 |
Solvation: | -2.80166 |
Coulombic: | -23.1446 |
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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