Chemical ID: 4681528

Cc1ccc[n+](c1)Cc2ccccc2
Chemical ID:
4681528
Name [?]:
1-benzyl-5-methyl-pyridine
SMILES [?]:
Cc1ccc[n+](c1)Cc2ccccc2
InChi [?]:
InChI=1/C13H14N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,11,13,4,3,10,14,5,7,8,2,9,6/E:(3,4)(7,8)/CRV:14+1/rA:14nCCCCCN+CCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-18.4337
Area:364.734
Solvation:-27.5521
Coulombic:17.6241
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:184.257
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.16
LogP (Chemaxon):-0.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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