Chemical ID: 6713047

c1cc(ccc1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C=O)F
Chemical ID:
6713047
Name [?]:
4-[1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-2,3,5,6-tetrahydropyrazine-1-carbaldehyde
SMILES [?]:
c1cc(ccc1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C=O)F
InChi [?]:
InChI=1/C15H16FN3O3/c16-11-1-3-12(4-2-11)19-14(21)9-13(15(19)22)18-7-5-17(10-20)6-8-18/h1-4,10,13H,5-9H2/p+1
InChi Info:
AuxInfo=1/1/N:2,4,1,5,16,18,15,19,10,20,3,6,11,8,12,22,17,14,7,21,9,13/E:(1,2)(3,4)(5,6)(7,8)/rA:22cCCCCCCNCOCCCON+CCNCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s7s11;d12;s11;s14;s15;s16;s17;s14s18;s17;d20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17FN3O3+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-27.4544
Area:476.097
Solvation:-39.3568
Coulombic:-1.67729
Bond Count [?]
All:24
Single:18
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.312
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.11
LogP (Chemaxon):-0.01

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