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Chemical ID: 7092356
Chemical ID:
7092356
Name [?]:
2-(2-aminophenyl)sulfanylacetamide
SMILES [?]:
c1ccc(c(c1)N)SCC(=O)N
InChi [?]:
InChI=1/C8H10N2OS/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,5,4,10,7,12,11,8/rA:12nCCCCCCNSCCON/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2OS |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.94838 |
Area: | 349.157 |
Solvation: | -2.78056 |
Coulombic: | -41.7299 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.244 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 0.34 |
LogP (Chemaxon): | 0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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