Chemical ID: 4670567

c1ccc(cc1)Cn2cccc2
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

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Experimental Annotations

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Descriptor Annotations

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