ChemDB: Chemical Search
Download
Chemical ID: 3999215
Chemical ID:
3999215
Name [?]:
ethyl 2-(2,3-dioxoindolin-1-yl)acetate
SMILES [?]:
CCOC(=O)CN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C12H11NO4/c1-2-17-10(14)7-13-9-6-4-3-5-8(9)11(15)12(13)16/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,6,13,8,4,14,16,7,5,15,17,3/rA:17nCCOCOCNCCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s14;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95929 |
Area: | 413.403 |
Solvation: | -3.37578 |
Coulombic: | -45.7736 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.22 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.8 |
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 |
---|