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Chemical ID: 4974415
Chemical ID:
4974415
Name [?]:
1-cyclohexyl-2-(4,4-dimethyl-2,3,5,6-tetrahydropyrazin-1-yl)-1-phenyl-ethanol
SMILES [?]:
C[N+]1(CCN(CC1)CC(c2ccccc2)(C3CCCCC3)O)C
InChi [?]:
InChI=1/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,23,13,19,12,14,18,20,11,15,17,21,4,6,3,7,8,10,16,9,5,2,22/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:22+1/rA:23cCN+CCNCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;s17;s18;s19;s16s20;s9;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H33N2O+ |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -16.6332 |
Area: | 504.625 |
Solvation: | -29.2488 |
Coulombic: | -1.32267 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.489 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.67 |
LogP (Chemaxon): | -1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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