Chemical ID: 7243941

c1cc(cc(c1)Cl)c2nc(cs2)CC(=O)O
Chemical ID:
7243941
Name [?]:
2-[2-(3-chlorophenyl)thiazol-4-yl]acetic acid
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(cs2)CC(=O)O
InChi [?]:
InChI=1/C11H8ClNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,13,11,3,5,10,14,8,7,9,15,16,12/E:(14,15)/rA:16nCCCCCCClCNCCSCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8ClNO2S
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.02844
Area:428.715
Solvation:-2.68944
Coulombic:-31.9084
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.705
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.5
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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