ChemDB: Chemical Search
Download
Chemical ID: 5703470
Chemical ID:
5703470
Name [?]:
2-(1H-indol-3-yl)ethylammonium
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC[NH3+]
InChi [?]:
InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,8,7,5,4,12,9/rA:12nCCCCCCCCNCCN+/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N2+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.6183 |
Area: | 331.365 |
Solvation: | -40.9024 |
Coulombic: | 31.6012 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 161.224 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.37 |
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 |
---|