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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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Chemical Mix	Source	External ID	Descriptor	Value