ChemDB: Chemical Search
Download
Chemical ID: 5575235
Chemical ID:
5575235
Name [?]:
1-(3-methyl-1H-indol-2-yl)ethanone
SMILES [?]:
Cc1c2ccccc2[nH]c1C(=O)C
InChi [?]:
InChI=1/C11H11NO/c1-7-9-5-3-4-6-10(9)12-11(7)8(2)13/h3-6,12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,5,6,4,7,2,11,3,8,10,9,12/rA:13nCCCCCCCCNCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.62967 |
Area: | 334.237 |
Solvation: | -1.72625 |
Coulombic: | -19.9593 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.99 |
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 |
---|