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Chemical ID: 5657217
Chemical ID:
5657217
Name [?]:
2-furylmethyl-(p-tolylmethyl)ammonium
SMILES [?]:
Cc1ccc(cc1)C[NH2+]Cc2ccco2
InChi [?]:
InChI=1/C13H15NO/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h2-8,14H,9-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,13,12,3,7,4,6,14,8,10,2,5,11,9,15/E:(4,5)(6,7)/rA:15nCCCCCCCCN+CCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16NO+ |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.21 |
Area: | 405.241 |
Solvation: | -34.341 |
Coulombic: | 27.6919 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 202.272 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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