ChemDB: Chemical Search
Download
Chemical ID: 6426750
Chemical ID:
6426750
Name [?]:
3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole
SMILES [?]:
CC(C)(C)C1CCc2c(c3ccccc3[nH]2)C1
InChi [?]:
InChI=1/C16H21N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-7,11,17H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,11,14,6,7,17,5,10,9,15,8,2,16/E:(1,2,3)/rA:17cCCCCCCCCCCCCCCCNC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s5s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.18363 |
Area: | 404.126 |
Solvation: | -0.919521 |
Coulombic: | -13.2951 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 227.345 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.78 |
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 |
---|