ChemDB: Chemical Search
Download
Chemical ID: 6589626
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|