Chemical ID: 6727528

c1ccc(c(c1)C(=O)N2CC[NH2+]CC2)F
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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