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Chemical ID: 7466707
Chemical ID:
7466707
Name [?]:
2-[2-(4-ethoxyphenyl)thiazol-4-yl]acetic acid
SMILES [?]:
CCOc1ccc(cc1)c2nc(cs2)CC(=O)O
InChi [?]:
InChI=1/C13H13NO3S/c1-2-17-11-5-3-9(4-6-11)13-14-10(8-18-13)7-12(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,15,13,7,12,4,16,10,11,17,18,3,14/E:(3,4)(5,6)(15,16)/rA:18nCCOCCCCCCCNCCSCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;d12;s10s13;s12;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO3S |
All Atoms: | 31 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41708 |
Area: | 456.276 |
Solvation: | -3.98982 |
Coulombic: | -38.2336 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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