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Chemical ID: 6727528
Chemical ID:
6727528
Name [?]:
(2-fluorophenyl)-(2,3,5,6-tetrahydropyrazin-1-yl)methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CC[NH2+]CC2)F
InChi [?]:
InChI=1/C11H13FN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,13,10,14,5,4,7,15,12,9,8/E:(5,6)(7,8)/rA:15nCCCCCCCONCCN+CCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14FN2O+ |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.3087 |
Area: | 359.819 |
Solvation: | -38.3042 |
Coulombic: | 16.666 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.24 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.13 |
LogP (Chemaxon): | 0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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