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Chemical ID: 3968412
Chemical ID:
3968412
Name [?]:
6-(trifluoromethoxy)benzothiazol-2-amine
SMILES [?]:
c1cc2c(cc1OC(F)(F)F)sc(n2)N
InChi [?]:
InChI=1/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,13,8,9,10,11,15,14,7,12/E:(9,10,11)/rA:15nCCCCCCOCFFFSCNN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s8;s8;s4;s12;s3d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5F3N2OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33182 |
Area: | 350.792 |
Solvation: | -1.43798 |
Coulombic: | -54.705 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 234.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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