Chemical ID: 4554502

CC(=O)NCCc1c[nH]c2c1cccc2
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue