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Chemical ID: 6678340
Chemical ID:
6678340
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(4-chlorophenyl)sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13Cl2NOS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,18,4,15,19,6,12,2,17,5,14,7,10,20,8,9,11,13/E:(3,4)(6,7)/rA:20nCCCCCCCClNCOCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4831 |
Area: | 525.313 |
Solvation: | -2.64968 |
Coulombic: | -22.5453 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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