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Chemical ID: 4781116
Chemical ID:
4781116
Name [?]:
1-(p-tolyl)pyrrole
SMILES [?]:
Cc1ccc(cc1)n2cccc2
InChi [?]:
InChI=1/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,3,7,4,6,9,12,2,5,8/E:(2,3)(4,5)(6,7)(8,9)/rA:12nCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.87419 |
Area: | 325.905 |
Solvation: | -1.27342 |
Coulombic: | -6.43326 |
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: | 3.13 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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