Chemical ID: 6520161

c1ccc(cc1)C(=O)N2CC[NH+](CC2)c3cccc(c3)Cl
Chemical ID:
6520161
Name [?]:
[4-(3-chlorophenyl)-2,3,5,6-tetrahydropyrazin-1-yl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CC[NH+](CC2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C17H17ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h1-8,13H,9-12H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,18,16,11,13,10,14,20,4,19,15,7,21,12,9,8/E:(2,3)(5,6)(9,10)(11,12)/rA:21nCCCCCCCONCCN+CCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClN2O+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-19.8721
Area:494.35
Solvation:-32.2309
Coulombic:12.4163
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.79
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.0
LogP (Chemaxon):3.66

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