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Chemical ID: 7085865
Chemical ID:
7085865
Name [?]:
(2-fluorophenyl)methyl-pentyl-ammonium
SMILES [?]:
CCCCC[NH2+]Cc1ccccc1F
InChi [?]:
InChI=1/C12H18FN/c1-2-3-6-9-14-10-11-7-4-5-8-12(11)13/h4-5,7-8,14H,2-3,6,9-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,10,11,4,9,12,5,7,8,13,14,6/rA:14nCCCCCN+CCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19FN+ |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.8087 |
Area: | 400.705 |
Solvation: | -33.8264 |
Coulombic: | 28.908 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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