Chemical ID: 6527188

c1cc(cc(c1)C(F)(F)F)C(=O)NC(CO)CO
Chemical ID:
6527188
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)ethyl]-3-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C(=O)NC(CO)CO
InChi [?]:
InChI=1/C11H12F3NO3/c12-11(13,14)8-3-1-2-7(4-8)10(18)15-9(5-16)6-17/h1-4,9,16-17H,5-6H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,15,17,3,5,14,11,7,8,9,10,13,16,18,12/E:(5,6)(12,13,14)(16,17)/rA:18nCCCCCCCFFFCONCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s11;s13;s14;s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12F3NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.4354
Area:417.239
Solvation:-4.99556
Coulombic:-72.3146
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:263.213
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.97
LogP (Chemaxon):1.01

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue