Chemical ID: 6498910

Cc1cccc(c1)OCC(C[NH+]2CC[NH+](CC2)CC(COc3cccc(c3)C)O)O
Chemical ID:
6498910
Name [?]:
1-[4-[2-hydroxy-3-(3-methylphenoxy)-propyl]-2,3,5,6-tetrahydropyrazin-1-yl]-3-(3-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(C[NH+]2CC[NH+](CC2)CC(COc3cccc(c3)C)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H36N2O4+2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:-93.3265
Area:692.917
Solvation:-110.649
Coulombic:66.9375
Bond Count [?]
All:32
Single:26
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.554
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.69
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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