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Chemical ID: 6646191
Chemical ID:
6646191
Name [?]:
2-[[2-(difluoromethoxy)phenyl]methyleneaminoimino]-5H-thiazol-4-ol
SMILES [?]:
c1ccc(c(c1)C=NN=C2N=C(CS2)O)OC(F)F
InChi [?]:
InChI=1/C11H9F2N3O2S/c12-10(13)18-8-4-2-1-3-7(8)5-14-16-11-15-9(17)6-19-11/h1-5,10H,6H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,13,5,4,12,17,10,18,19,8,11,9,15,16,14/E:(12,13)/rA:19nCCCCCCCNNCNCCSOOCFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;w9;s10;d11;s12;s10s13;s12;s4;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9F2N3O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.45398 |
Area: | 443.072 |
Solvation: | -3.62282 |
Coulombic: | -47.1873 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.25 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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