ChemDB: Chemical Search
Download
Chemical ID: 4670567
Chemical ID:
4670567
Name [?]:
1-benzylpyrrole
SMILES [?]:
c1ccc(cc1)Cn2cccc2
InChi [?]:
InChI=1/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,3,5,9,12,7,4,8/E:(2,3)(4,5)(6,7)(8,9)/rA:12nCCCCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9594 |
Area: | 329.211 |
Solvation: | -1.27087 |
Coulombic: | -7.50387 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 157.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.08 |
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 |
---|