ChemDB: Chemical Search
Download
Chemical ID: 4286259
Chemical ID:
4286259
Name [?]:
6-isobutoxy-2,3,4,9-tetrahydrocarbazol-1-one
SMILES [?]:
CC(C)COc1ccc2c(c1)c3c([nH]2)C(=O)CCC3
InChi [?]:
InChI=1/C16H19NO2/c1-10(2)9-19-11-6-7-14-13(8-11)12-4-3-5-15(18)16(12)17-14/h6-8,10,17H,3-5,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,17,7,8,11,4,2,6,12,10,9,15,13,14,16,5/E:(1,2)/rA:19nCCCCOCCCCCCCCNCOCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s9s13;s13;d15;s15;s17;s12s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24386 |
Area: | 453.124 |
Solvation: | -3.08423 |
Coulombic: | -27.0368 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.328 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.07 |
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 |
---|