Chemical ID: 7208691

Cn1cccc1C[NH+]2CCN(CC2)C(=O)c3ccccc3F
Chemical ID:
7208691
Name [?]:
(2-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
Cn1cccc1C[NH+]2CCN(CC2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C17H20FN3O/c1-19-8-4-5-14(19)13-20-9-11-21(12-10-20)17(22)15-6-2-3-7-16(15)18/h2-8H,9-13H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,19,4,5,17,20,3,9,13,10,12,7,6,16,21,14,22,2,8,11,15/E:(9,10)(11,12)/rA:22nCNCCCCCN+CCNCCCOCCCCCCF/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21FN3O+
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-21.0004
Area:481.073
Solvation:-33.0272
Coulombic:3.97896
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.367
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.19
LogP (Chemaxon):1.93

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