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Chemical ID: 3994232
Chemical ID:
3994232
Name [?]:
2-(2-phenylthiazol-4-yl)acetic acid
SMILES [?]:
c1ccc(cc1)c2nc(cs2)CC(=O)O
InChi [?]:
InChI=1/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,10,4,9,13,7,8,14,15,11/E:(2,3)(4,5)(13,14)/rA:15nCCCCCCCNCCSCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07799 |
Area: | 392.657 |
Solvation: | -2.73843 |
Coulombic: | -31.8607 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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