Molecule

ID:74021

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₅
Molecular Mass
248.2762
Exact Mass
248.13722175
Charge
0
InChI
InChI=1S/C8H14N2O4.C2H6O/c11-8(12)7-9(13)5-3-1-2-4-6(5)10(7)14;1-2-3/h5-7,13-14H,1-4H2,(H,11,12);3H,2H2,1H3
InChIKey
IFIUWKMSXIXIFJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1N(O)C2C(N1O)CCCC2.CCO
Isomeric Smiles
N1(C2C(CCCC2)N(C1C(=O)O)O)O.OCC
Calculated Properties
JChem
Acid pKa
3.7106864
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.9871702
LogD (pH = 7.4)
-3.4998243
Log P
-0.19868778
Molar Refractivity
46.0521
Polarizability
18.947182
Polar Surface Area
84.24
Rotatable Bonds
1
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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