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Chemical ID: 6724118
Chemical ID:
6724118
Name [?]:
2-furylmethyl-[(2-methoxyphenyl)methyl]ammonium
SMILES [?]:
COc1ccccc1C[NH2+]Cc2ccco2
InChi [?]:
InChI=1/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,5,14,7,13,4,15,9,11,8,12,3,10,2,16/rA:16nCOCCCCCCCN+CCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16NO2+ |
All Atoms: | 32 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.3308 |
Area: | 416.158 |
Solvation: | -32.7348 |
Coulombic: | 17.98 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.272 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.86 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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