Chemical ID: 3968412

c1cc2c(cc1OC(F)(F)F)sc(n2)N
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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