ChemDB: Chemical Search
Download
Chemical ID: 5133123
Chemical ID:
5133123
Name [?]:
4-ethoxy-1H-indole-2-carboxylic acid
SMILES [?]:
CCOc1cccc2c1cc([nH]2)C(=O)O
InChi [?]:
InChI=1/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,10,9,8,11,4,13,12,14,15,3/E:(13,14)/rA:15nCCOCCCCCCCCNCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s8s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75662 |
Area: | 380.337 |
Solvation: | -2.75181 |
Coulombic: | -47.1895 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.14 |
LogP (Chemaxon): | 1.82 |
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 |
---|