Chemical ID: 6425584

CC(=O)c1c2ccccc2[nH]c1C(=O)C
Chemical ID:
6425584
Name [?]:
1-(3-acetyl-1H-indol-2-yl)ethanone
SMILES [?]:
CC(=O)c1c2ccccc2[nH]c1C(=O)C
InChi [?]:
InChI=1/C12H11NO2/c1-7(14)11-9-5-3-4-6-10(9)13-12(11)8(2)15/h3-6,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,7,8,6,9,2,13,5,10,4,12,11,3,14/rA:15nCCOCCCCCCCNCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.14676
Area:370.893
Solvation:-3.12557
Coulombic:-26.1845
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.221
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.79
LogP (Chemaxon):0.83

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