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Chemical ID: 4978152
Chemical ID:
4978152
Name [?]:
4-(4-ethoxyphenyl)thiazole-2-carbaldehyde
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)C=O
InChi [?]:
InChI=1/C12H11NO2S/c1-2-15-10-5-3-9(4-6-10)11-8-16-12(7-14)13-11/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,15,11,7,4,10,13,14,16,3,12/E:(3,4)(5,6)/rA:16nCCOCCCCCCCCSCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0248 |
Area: | 421.975 |
Solvation: | -3.52458 |
Coulombic: | -21.2288 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.287 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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