ChemDB: Chemical Search
Download
Chemical ID: 6703585
Chemical ID:
6703585
Name [?]:
2-azaniumyl-3-(1H-indol-3-yl)propanoate
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC(C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,8,7,5,11,4,12,15,9,13,14/E:(14,15)/rA:15cCCCCCCCCNCCCOO-N+/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -26.1497 |
Area: | 371.147 |
Solvation: | -35.4284 |
Coulombic: | -17.2119 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 204.225 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.38 |
LogP (Chemaxon): | -0.74 |
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 |
---|