Chemical ID: 7466791

Cc1c(sc(n1)c2ccccc2F)C(=O)O
Chemical ID:
7466791
Name [?]:
2-(2-fluorophenyl)-4-methyl-thiazole-5-carboxylic acid
SMILES [?]:
Cc1c(sc(n1)c2ccccc2F)C(=O)O
InChi [?]:
InChI=1/C11H8FNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,11,2,7,12,3,5,14,13,6,15,16,4/E:(14,15)/rA:16nCCCSCNCCCCCCFCOO/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8FNO2S
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.31775
Area:388.364
Solvation:-2.39135
Coulombic:-37.5817
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.251
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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