Chemical ID: 6733327

c1cc(cnc1)C[NH2+]Cc2ccc(cc2)F
Chemical ID:
6733327
Name [?]:
(4-fluorophenyl)methyl-(3-pyridylmethyl)ammonium
SMILES [?]:
c1cc(cnc1)C[NH2+]Cc2ccc(cc2)F
InChi [?]:
InChI=1/C13H13FN2/c14-13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h1-7,9,16H,8,10H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,6,9,4,7,10,3,13,16,5,8/E:(3,4)(5,6)/rA:16nCCCCNCCN+CCCCCCCF/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14FN2+
All Atoms:30
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-27.9024
Area:408.923
Solvation:-38.1255
Coulombic:29.7252
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.262
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.15
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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