ChemDB: Chemical Search
Download
Chemical ID: 6497727
Chemical ID:
6497727
Name [?]:
2-(p-tolyl)-1H-pyrrole
SMILES [?]:
Cc1ccc(cc1)c2ccc[nH]2
InChi [?]:
InChI=1/C11H11N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h2-8,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,3,7,4,6,11,2,5,8,12/E:(4,5)(6,7)/rA:12nCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08975 |
Area: | 327.653 |
Solvation: | -1.10158 |
Coulombic: | -12.5842 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 157.212 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.97 |
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 |
---|