Chemical ID: 7245409

c1cc(ccc1c2nc(cs2)CC(=O)O)O
Chemical ID:
7245409
Name [?]:
2-[2-(4-hydroxyphenyl)thiazol-4-yl]acetic acid
SMILES [?]:
c1cc(ccc1c2nc(cs2)CC(=O)O)O
InChi [?]:
InChI=1/C11H9NO3S/c13-9-3-1-7(2-4-9)11-12-8(6-16-11)5-10(14)15/h1-4,6,13H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,10,6,9,3,13,7,8,16,14,15,11/E:(1,2)(3,4)(14,15)/rA:16nCCCCCCCNCCSCCOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NO3S
All Atoms:25
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.63592
Area:410.338
Solvation:-3.62252
Coulombic:-46.7926
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.26
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.48
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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