Molecule

ID:106986

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₄N₂O₄
Molecular Mass
236.30856
Exact Mass
236.17360726
Charge
0
InChI
InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2
InChIKey
BYACHAOCSIPLCM-UHFFFAOYSA-N
Canonic Smiles
OCCN(CCO)CCN(CCO)CCO
Isomeric Smiles
OCCN(CCO)CCN(CCO)CCO
Calculated Properties
JChem
Acid pKa
14.990942
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.8185935
LogD (pH = 7.4)
-4.0891433
Log P
-2.551594
Molar Refractivity
63.1764
Polarizability
24.722944
Polar Surface Area
87.4
Rotatable Bonds
11
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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