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Chemical ID: 7243941
Chemical ID:
7243941
Name [?]:
2-[2-(3-chlorophenyl)thiazol-4-yl]acetic acid
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(cs2)CC(=O)O
InChi [?]:
InChI=1/C11H8ClNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,13,11,3,5,10,14,8,7,9,15,16,12/E:(14,15)/rA:16nCCCCCCClCNCCSCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8ClNO2S |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02844 |
Area: | 428.715 |
Solvation: | -2.68944 |
Coulombic: | -31.9084 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 253.705 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.5 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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