Chemical ID: 6646191

c1ccc(c(c1)C=NN=C2N=C(CS2)O)OC(F)F
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

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Descriptor Annotations

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