Chemical ID: 7120984

c1cc(cc(c1)F)C[NH+]2CC[NH+](CC2)CC3CCC=CC3
Chemical ID:
7120984
Name [?]:
1-(1-cyclohex-3-enylmethyl)-4-[(3-fluorophenyl)methyl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1cc(cc(c1)F)C[NH+]2CC[NH+](CC2)CC3CCC=CC3
InChi [?]:
InChI=1/C18H25FN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/p+2
InChi Info:
AuxInfo=1/1/N:19,20,18,1,21,17,2,6,11,13,10,14,4,15,8,16,3,5,7,12,9/E:(9,10)(11,12)/rA:21cCCCCCCFCN+CCN+CCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;d19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27FN2+2
All Atoms:48
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-94.1383
Area:491.276
Solvation:-106.42
Coulombic:108.86
Bond Count [?]
All:23
Single:19
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.419
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.51
LogP (Chemaxon):3.51

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