ChemDB: Chemical Search
Download
Chemical ID: 5069357
Chemical ID:
5069357
Name [?]:
2-(3-bromophenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2cccc(c2)Br
InChi [?]:
InChI=1/C11H14BrN/c1-8-5-11(13-7-8)9-3-2-4-10(12)6-9/h2-4,6,8,11,13H,5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,3,12,6,2,7,11,4,13,5/rA:13cCCCCNCCCCCCCBr/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14BrN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.32281 |
Area: | 365.259 |
Solvation: | -0.808655 |
Coulombic: | -10.8787 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.16 |
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 |
---|