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Chemical ID: 7244492
Chemical ID:
7244492
Name [?]:
2-[2-(2,3-dimethoxyphenyl)thiazol-4-yl]acetic acid
SMILES [?]:
COc1cccc(c1OC)c2nc(cs2)CC(=O)O
InChi [?]:
InChI=1/C13H13NO4S/c1-17-10-5-3-4-9(12(10)18-2)13-14-8(7-19-13)6-11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,5,6,4,16,14,13,7,3,17,8,11,12,18,19,2,9,15/E:(15,16)/rA:19nCOCCCCCCOCCNCCSCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;d11;s12;d13;s11s14;s13;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO4S |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.66492 |
Area: | 448.954 |
Solvation: | -5.55894 |
Coulombic: | -45.0592 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 279.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.44 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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