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Chemical ID: 7163562
Chemical ID:
7163562
Name [?]:
1-(4-phenylcyclohexyl)-4-(3-phenylpropyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1ccc(cc1)CCC[NH+]2CC[NH+](CC2)C3CCC(CC3)c4ccccc4
InChi [?]:
InChI=1/C25H34N2/c1-3-8-22(9-4-1)10-7-17-26-18-20-27(21-19-26)25-15-13-24(14-16-25)23-11-5-2-6-12-23/h1-6,8-9,11-12,24-25H,7,10,13-21H2/p+2
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,8,3,5,7,23,27,18,20,17,21,9,11,15,12,14,4,22,19,16,10,13/E:(3,4)(5,6)(8,9)(11,12)(13,14)(15,16)(18,19)(20,21)/rA:27nCCCCCCCCCN+CCN+CCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36N2+2 |
All Atoms: | 63 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -88.2192 |
Area: | 621.3 |
Solvation: | -103.752 |
Coulombic: | 107.545 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.567 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.14 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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