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Chemical ID: 7515158
Chemical ID:
7515158
Name [?]:
2-(3-chlorophenyl)sulfanyl-N-(2,5-dichlorophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)SCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-9-2-1-3-11(6-9)20-8-14(19)18-13-7-10(16)4-5-12(13)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,16,17,4,14,9,5,15,3,18,13,10,7,20,19,12,11,8/rA:20nCCCCCCClSCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NOS |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0266 |
Area: | 538.037 |
Solvation: | -2.42433 |
Coulombic: | -23.1811 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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