ChemDB: Chemical Search
Download
Chemical ID: 4734918
Chemical ID:
4734918
Name [?]:
3-formyl-1H-indole-7-carboxylic acid
SMILES [?]:
c1cc2c(c[nH]c2c(c1)C(=O)O)C=O
InChi [?]:
InChI=1/C10H7NO3/c12-5-6-4-11-9-7(6)2-1-3-8(9)10(13)14/h1-5,11H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,9,5,13,4,3,8,7,10,6,14,11,12/E:(13,14)/rA:14nCCCCCNCCCCOOCO/rB:s1;d2;s3;d4;s5;s3s6;d7;d1s8;s8;d10;s10;s4;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.57839 |
Area: | 347.617 |
Solvation: | -3.11204 |
Coulombic: | -45.2658 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.168 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.64 |
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 |
---|