Chemical ID: 7173874

Cc1ccc(cc1)C[NH+]2CC[NH+](CC2)CCCc3ccccc3
Chemical ID:
7173874
Name [?]:
1-(3-phenylpropyl)-4-(p-tolylmethyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
Cc1ccc(cc1)C[NH+]2CC[NH+](CC2)CCCc3ccccc3
InChi [?]:
InChI=1/C21H28N2/c1-19-9-11-21(12-10-19)18-23-16-14-22(15-17-23)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,21,20,22,16,19,23,17,3,7,4,6,15,11,13,10,14,8,2,18,5,12,9/E:(3,4)(6,7)(9,10)(11,12)(14,15)(16,17)/rA:23nCCCCCCCCN+CCN+CCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2+2
All Atoms:53
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-89.9446
Area:555.596
Solvation:-103.835
Coulombic:108.788
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.476
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.08
LogP (Chemaxon):4.63

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Descriptor Annotations

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