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Chemical ID: 6477538
Chemical ID:
6477538
Name [?]:
4-(4-fluorophenyl)-3H-thiazol-2-amine
SMILES [?]:
c1cc(ccc1c2csc([nH+]2)N)F
InChi [?]:
InChI=1/C9H7FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,6,3,7,10,13,12,11,9/E:(1,2)(3,4)/rA:13nCCCCCCCCSCN+NF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8FN2S+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -25.2092 |
Area: | 346.482 |
Solvation: | -33.8712 |
Coulombic: | -11.8427 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.238 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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