Chemical ID: 7123630

c1cc(cc(c1)F)C[NH+]2CCN(CC2)C(=O)c3cccc(c3)Cl
Chemical ID:
7123630
Name [?]:
(3-chlorophenyl)-[4-[(3-fluorophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
c1cc(cc(c1)F)C[NH+]2CCN(CC2)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H18ClFN2O/c19-16-5-2-4-15(12-16)18(23)22-9-7-21(8-10-22)13-14-3-1-6-17(20)11-14/h1-6,11-12H,7-10,13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,19,2,18,20,6,10,14,11,13,4,22,8,3,17,21,5,15,23,7,9,12,16/E:(7,8)(9,10)/rA:23nCCCCCCFCN+CCNCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClFN2O+
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-21.5685
Area:526.93
Solvation:-34.7417
Coulombic:10.0693
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.807
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):3.43

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