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Chemical ID: 5532020
Chemical ID:
5532020
Name [?]:
N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILES [?]:
c1cc(cc(c1)OC(F)(F)F)NC(=O)c2cccs2
InChi [?]:
InChI=1/C12H8F3NO2S/c13-12(14,15)18-9-4-1-3-8(7-9)16-11(17)10-5-2-6-19-10/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,4,3,5,15,13,8,9,10,11,12,14,7,19/E:(13,14,15)/rA:19nCCCCCCOCFFFNCOCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s8;s8;s3;s12;d13;s13;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8F3NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8675 |
Area: | 429.914 |
Solvation: | -1.88036 |
Coulombic: | -55.1716 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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