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Chemical ID: 6833198
Chemical ID:
6833198
Name [?]:
N-(5-chloro-2-methyl-phenyl)-2-sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CS)Cl
InChi [?]:
InChI=1/C9H10ClNOS/c1-6-2-3-7(10)4-8(6)11-9(12)5-13/h2-4,13H,5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,11,2,5,7,9,13,8,10,12/rA:13nCCCCCCCNCOCSCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10ClNOS |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08124 |
Area: | 382.973 |
Solvation: | -2.49308 |
Coulombic: | -22.3784 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.701 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.27 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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