Molecule

ID:75135

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₄
Molecular Mass
232.2768
Exact Mass
232.14230713
Charge
0
InChI
InChI=1S/C10H20N2O4/c13-9(11-15)7-5-3-1-2-4-6-8-10(14)12-16/h15-16H,1-8H2,(H,11,13)(H,12,14)
InChIKey
FMFRFPZGENUMQQ-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)CCCCCCCCC(=O)NO
Isomeric Smiles
ONC(=O)CCCCCCCCC(=O)NO
Calculated Properties
JChem
Acid pKa
8.606508
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.64834213
LogD (pH = 7.4)
0.6222231
Log P
0.6486803
Molar Refractivity
58.3166
Polarizability
22.903479
Polar Surface Area
98.66
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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