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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value