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Chemical ID: 7122299
Chemical ID:
7122299
Name [?]:
1-isopropoxy-3-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-propan-2-ol
SMILES [?]:
CC(C)OCC(C[NH+]1CC[NH+](CC1)C)O
InChi [?]:
InChI=1/C11H24N2O2/c1-10(2)15-9-11(14)8-13-6-4-12(3)5-7-13/h10-11,14H,4-9H2,1-3H3/p+2
InChi Info:
AuxInfo=1/1/N:1,3,14,10,12,9,13,7,5,2,6,11,8,15,4/E:(1,2)(4,5)(6,7)/rA:15cCCCOCCCN+CCN+CCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s11;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H26N2O2+2 |
All Atoms: | 41 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -97.6437 |
Area: | 424.26 |
Solvation: | -108.25 |
Coulombic: | 90.1415 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.336 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -0.27 |
LogP (Chemaxon): | 0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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