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Chemical ID: 4978140
Chemical ID:
4978140
Name [?]:
4-(4-methoxyphenyl)thiazole-2-carbaldehyde
SMILES [?]:
COc1ccc(cc1)c2csc(n2)C=O
InChi [?]:
InChI=1/C11H9NO2S/c1-14-9-4-2-8(3-5-9)10-7-15-11(6-13)12-10/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,14,10,6,3,9,12,13,15,2,11/E:(2,3)(4,5)/rA:15nCOCCCCCCCCSCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.24939 |
Area: | 394.875 |
Solvation: | -3.62248 |
Coulombic: | -20.964 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.261 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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