Chemical ID: 7466701

c1ccc(c(c1)c2nc(cs2)CC(=O)O)F
Chemical ID:
7466701
Name [?]:
2-[2-(2-fluorophenyl)thiazol-4-yl]acetic acid
SMILES [?]:
c1ccc(c(c1)c2nc(cs2)CC(=O)O)F
InChi [?]:
InChI=1/C11H8FNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,10,9,5,4,13,7,16,8,14,15,11/E:(14,15)/rA:16nCCCCCCCNCCSCCOOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s13;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8FNO2S
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.4053
Area:394.482
Solvation:-3.45676
Coulombic:-34.9587
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.251
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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