ChemDB: Chemical Search
Download
Chemical ID: 4085347
Chemical ID:
4085347
Name [?]:
3-bromo-9H-carbazole
SMILES [?]:
c1ccc2c(c1)c3cc(ccc3[nH]2)Br
InChi [?]:
InChI=1/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,11,8,9,5,7,4,12,14,13/rA:14nCCCCCCCCCCCCNBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8BrN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91227 |
Area: | 354.539 |
Solvation: | -0.951219 |
Coulombic: | -13.2112 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 246.103 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.33 |
LogP (Chemaxon): | 4.63 |
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 |
---|