Chemical ID: 5871154

c1ccc(c(c1)c2c(nc(s2)N)C(=O)O)Cl
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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