Chemical ID: 6151095

c1cc2c(cc1C(F)(F)F)nc(s2)CC#N
Chemical ID:
6151095
Name [?]:
2-[5-(trifluoromethyl)benzothiazol-2-yl]acetonitrile
SMILES [?]:
c1cc2c(cc1C(F)(F)F)nc(s2)CC#N
InChi [?]:
InChI=1/C10H5F3N2S/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14/h1-2,5H,3H2
InChi Info:
AuxInfo=1/0/N:1,2,14,15,5,6,4,3,12,7,8,9,10,16,11,13/E:(11,12,13)/rA:16nCCCCCCCFFFNCSCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;d11;s3s12;s12;s14;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H5F3N2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.13288
Area:387.536
Solvation:-2.55553
Coulombic:-26.0683
Bond Count [?]
All:17
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.221
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.03
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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