Chemical ID: 6701498

c1cc(cc(c1)[N+](=O)[O-])C[NH+]2CCN(CC2)C(=O)c3ccc(cc3)F
Chemical ID:
6701498
Name [?]:
(4-fluorophenyl)-[4-[(3-nitrophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C[NH+]2CCN(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19FN3O3+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-31.1913
Area:540.75
Solvation:-44.7101
Coulombic:4.79252
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.36
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.85
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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