Chemical ID: 4118427

c1ccc(cc1)c2nc(c(o2)C(F)(F)F)C(=O)O
Chemical ID:
4118427
Name [?]:
2-phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2nc(c(o2)C(F)(F)F)C(=O)O
InChi [?]:
InChI=1/C11H6F3NO3/c12-11(13,14)8-7(10(16)17)15-9(18-8)6-4-2-1-3-5-6/h1-5H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,10,7,16,12,13,14,15,8,17,18,11/E:(2,3)(4,5)(12,13,14)(16,17)/rA:18nCCCCCCCNCCOCFFFCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s12;s12;s9;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6F3NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.18733
Area:394.452
Solvation:-2.67396
Coulombic:-61.631
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.165
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.68
LogP (Chemaxon):2.79

Name Annotations

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Descriptor Annotations

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