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Chemical ID: 7193529
Chemical ID:
7193529
Name [?]:
2-(3-fluorophenyl)ethyl-[(3-methoxyphenyl)methyl]ammonium
SMILES [?]:
COc1cccc(c1)C[NH2+]CCc2cccc(c2)F
InChi [?]:
InChI=1/C16H18FNO/c1-19-16-7-3-5-14(11-16)12-18-9-8-13-4-2-6-15(17)10-13/h2-7,10-11,18H,8-9,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,15,5,14,6,16,4,12,11,18,8,9,13,7,17,3,19,10,2/rA:19nCOCCCCCCCN+CCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19FNO+ |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -25.9504 |
Area: | 474.606 |
Solvation: | -37.8156 |
Coulombic: | 24.2387 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 260.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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