Chemical ID: 6589626

CCOc1ccc2c(c1)C(C(=O)N2)(C(F)(F)F)O
Chemical ID:
6589626
Name [?]:
5-ethoxy-3-hydroxy-3-(trifluoromethyl)indolin-2-one
SMILES [?]:
CCOc1ccc2c(c1)C(C(=O)N2)(C(F)(F)F)O
InChi [?]:
InChI=1/C11H10F3NO3/c1-2-18-6-3-4-8-7(5-6)10(17,9(16)15-8)11(12,13)14/h3-5,17H,2H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,9,4,8,7,11,10,14,15,16,17,13,12,18,3/E:(12,13,14)/rA:18cCCOCCCCCCCCONCFFFO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s7s11;s10;s14;s14;s14;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F3NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.16402
Area:391.495
Solvation:-3.62334
Coulombic:-64.346
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.197
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.08
LogP (Chemaxon):1.67

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