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Chemical ID: 4681528
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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