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Chemical ID: 4227123
Chemical ID:
4227123
Name [?]:
2-methoxy-4-(2-methylthiazol-4-yl)-phenol
SMILES [?]:
Cc1nc(cs1)c2ccc(c(c2)OC)O
InChi [?]:
InChI=1/C11H11NO2S/c1-7-12-9(6-15-7)8-3-4-10(13)11(5-8)14-2/h3-6,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,8,9,12,5,2,7,4,10,11,3,15,13,6/rA:15nCCNCCSCCCCCCOCO/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.37065 |
Area: | 394.636 |
Solvation: | -3.49524 |
Coulombic: | -28.7113 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.277 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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