ChemDB: Chemical Search
Download
Chemical ID: 4554502
Chemical ID:
4554502
Name [?]:
N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILES [?]:
CC(=O)NCCc1c[nH]c2c1cccc2
InChi [?]:
InChI=1/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,6,5,8,2,7,11,10,4,9,3/rA:15nCCONCCCCNCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47388 |
Area: | 396.479 |
Solvation: | -2.4381 |
Coulombic: | -31.0912 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.65 |
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 |
---|