Chemical ID: 7124750

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)Cc3ccc(cc3)F
Chemical ID:
7124750
Name [?]:
1-[1-[(4-fluorophenyl)methyl]-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-4-methyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C17H26FN3/c1-19-10-12-21(13-11-19)17-6-8-20(9-7-17)14-15-2-4-16(18)5-3-15/h2-5,17H,6-14H2,1H3/p+3
InChi Info:
AuxInfo=1/1/N:1,16,20,17,19,9,13,10,12,3,7,4,6,14,15,18,8,21,2,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:21nCN+CCN+CCCCCN+CCCCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29FN3+3
All Atoms:50
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-183.481
Area:483.623
Solvation:-195.572
Coulombic:202.905
Bond Count [?]
All:23
Single:20
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.431
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.97
LogP (Chemaxon):1.85

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Descriptor Annotations

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