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Chemical ID: 5095129
Chemical ID:
5095129
Name [?]:
4-(4-ethoxy-2,5-dimethyl-phenyl)thiazole
SMILES [?]:
CCOc1cc(c(cc1C)c2cscn2)C
InChi [?]:
InChI=1/C13H15NOS/c1-4-15-13-6-9(2)11(5-10(13)3)12-7-16-8-14-12/h5-8H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,10,2,8,5,12,14,6,9,7,11,4,15,3,13/rA:16nCCOCCCCCCCCCSCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s12;s13;s11d14;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18581 |
Area: | 418.43 |
Solvation: | -2.27494 |
Coulombic: | -13.3801 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.33 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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