Chemical ID: 5150972

c1cc(c(cc1F)c2csc(n2)CC(=O)O)F
Chemical ID:
5150972
Name [?]:
2-[4-(2,5-difluorophenyl)thiazol-2-yl]acetic acid
SMILES [?]:
c1cc(c(cc1F)c2csc(n2)CC(=O)O)F
InChi [?]:
InChI=1/C11H7F2NO2S/c12-6-1-2-8(13)7(3-6)9-5-17-10(14-9)4-11(15)16/h1-3,5H,4H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,13,9,6,4,3,8,11,14,7,17,12,15,16,10/E:(15,16)/rA:17nCCCCCCFCCSCNCCOOF/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;s10;s8d11;s11;s13;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7F2NO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.40415
Area:404.82
Solvation:-4.71636
Coulombic:-36.4912
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.242
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.24
LogP (Chemaxon):2.9

Name Annotations

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Descriptor Annotations

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