Chemical ID: 4781116

Cc1ccc(cc1)n2cccc2
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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