Chemical ID: 6836454

C[NH+]1CCN(CC1)S(=O)(=O)c2cccc(c2)F
Chemical ID:
6836454
Name [?]:
1-(3-fluorophenyl)sulfonyl-4-methyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
C[NH+]1CCN(CC1)S(=O)(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C11H15FN2O2S/c1-13-5-7-14(8-6-13)17(15,16)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,13,14,12,3,7,4,6,16,15,11,17,2,5,9,10,8/E:(5,6)(7,8)(15,16)/CRV:17.6/rA:17nCN+CCNCCSOOCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16FN2O2S+
All Atoms:33
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-25.7148
Area:402.126
Solvation:-35.768
Coulombic:22.5684
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:259.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.91
LogP (Chemaxon):1.11

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Descriptor Annotations

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