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Chemical ID: 7245305
Chemical ID:
7245305
Name [?]:
N-[2-(carbamoylmethylsulfanyl)phenyl]-2-chloro-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CCl)SCC(=O)N
InChi [?]:
InChI=1/C10H11ClN2O2S/c11-5-10(15)13-7-3-1-2-4-8(7)16-6-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,13,5,4,14,8,11,16,7,15,9,12/rA:16nCCCCCCNCOCClSCCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s4;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClN2O2S |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.906 |
Area: | 440.739 |
Solvation: | -4.11248 |
Coulombic: | -44.7705 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 258.725 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.64 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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