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Chemical ID: 5150972
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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Experimental Annotations
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Descriptor Annotations
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