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Chemical ID: 5871154
Chemical ID:
5871154
Name [?]:
2-amino-5-(2-chlorophenyl)-thiazole-4-carboxylic acid
SMILES [?]:
c1ccc(c(c1)c2c(nc(s2)N)C(=O)O)Cl
InChi [?]:
InChI=1/C10H7ClN2O2S/c11-6-4-2-1-3-5(6)8-7(9(14)15)13-10(12)16-8/h1-4H,(H2,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,7,13,10,16,12,9,14,15,11/E:(14,15)/rA:16nCCCCCCCCNCSNCOOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s8;d13;s13;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7ClN2O2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12218 |
Area: | 399.948 |
Solvation: | -1.87652 |
Coulombic: | -52.1423 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.694 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.87 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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