Chemical ID: 6831726

CC[NH+]1CCN(CC1)C(=O)c2ccc(cc2)F
Chemical ID:
6831726
Name [?]:
(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)-(4-fluorophenyl)-methanone
SMILES [?]:
CC[NH+]1CCN(CC1)C(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C13H17FN2O/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,12,16,13,15,4,8,5,7,11,14,9,17,3,6,10/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCN+CCNCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18FN2O+
All Atoms:35
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-23.6477
Area:408.654
Solvation:-33.864
Coulombic:10.1452
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.293
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.47

Name Annotations

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Descriptor Annotations

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