Chemical ID: 6700491

C[NH+]1CC[NH+](CC1)C2CC(=O)N(C2=O)c3ccc(cc3)F
Chemical ID:
6700491
Name [?]:
1-(4-fluorophenyl)-3-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-pyrrolidine-2,5-dione
SMILES [?]:
C[NH+]1CC[NH+](CC1)C2CC(=O)N(C2=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C15H18FN3O2/c1-17-6-8-18(9-7-17)13-10-14(20)19(15(13)21)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,17,19,16,20,3,7,4,6,9,18,15,8,10,13,21,2,5,12,11,14/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCN+CCN+CCCCCONCOCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s10;s8s12;d13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20FN3O2+2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-102.608
Area:460.427
Solvation:-114.119
Coulombic:97.5696
Bond Count [?]
All:23
Single:18
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.337
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.34
LogP (Chemaxon):0.79

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Descriptor Annotations

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