Chemical ID: 6708303

c1cc(cc(c1)Cl)C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F
Chemical ID:
6708303
Name [?]:
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CC[NH+](CC2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C18H18ClFN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,12,14,11,15,4,16,17,3,5,20,8,7,23,13,10,9/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCCClCONCCN+CCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClFN2O+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-21.9181
Area:522.57
Solvation:-34.9824
Coulombic:10.0912
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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