Molecule

ID:112474

General Information
Structure
MolImage
Molecular Formula
C₁₀H₃₁NO₆
Molecular Mass
261.35624
Exact Mass
261.21513772
Charge
0
InChI
InChI=1S/C8H20N.C2H4O2.4H2O/c1-5-9(6-2,7-3)8-4;1-2(3)4;;;;/h5-8H2,1-4H3;1H3,(H,3,4);4*1H2/q+1;;;;;/p-1
InChIKey
QNOAKQGNSWGYOE-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C.CC[N+](CC)(CC)CC.O.O.O.O
Isomeric Smiles
O.O.O.O.CC(=O)[O-].CC[N+](CC)(CC)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.5449352
LogD (pH = 7.4)
-2.5449352
Log P
-2.5449352
Molar Refractivity
54.8961
Polarizability
16.958946
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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