Chemical ID: 7245678

Cc1c(sc(n1)c2ccc(cc2)OC)C(=O)O
Chemical ID:
7245678
Name [?]:
2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylic acid
SMILES [?]:
Cc1c(sc(n1)c2ccc(cc2)OC)C(=O)O
InChi [?]:
InChI=1/C12H11NO3S/c1-7-10(12(14)15)17-11(13-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,8,12,9,11,2,7,10,3,5,15,6,16,17,13,4/E:(3,4)(5,6)(14,15)/rA:17nCCCSCNCCCCCCOCCOO/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO3S
All Atoms:28
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.58175
Area:424.509
Solvation:-3.03098
Coulombic:-40.6188
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.287
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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