Chemical ID: 4121519

c1cc2c(cc1C(=O)O)nc([nH]2)C(F)(F)F
Chemical ID:
4121519
Name [?]:
2-(trifluoromethyl)-1H-benzoimidazole-5-carboxylic acid
SMILES [?]:
c1cc2c(cc1C(=O)O)nc([nH]2)C(F)(F)F
InChi [?]:
InChI=1/C9H5F3N2O2/c10-9(11,12)8-13-5-2-1-4(7(15)16)3-6(5)14-8/h1-3H,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,11,13,14,15,16,12,10,8,9/E:(10,11,12)(15,16)/rA:16nCCCCCCCOONCNCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s3s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5F3N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.51306
Area:359.464
Solvation:-2.47354
Coulombic:-64.8444
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.143
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.87
LogP (Chemaxon):2.46

Name Annotations

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Descriptor Annotations

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