Molecule

ID:111066

General Information
Structure
MolImage
Molecular Formula
C₄H₂₂N₂O₆
Molecular Mass
194.22728
Exact Mass
194.14778643
Charge
0
InChI
InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2
InChIKey
AVRVZRUEXIEGMP-UHFFFAOYSA-N
Canonic Smiles
N1CCNCC1.O.O.O.O.O.O
Isomeric Smiles
O.O.O.O.O.O.C1CNCCN1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.077815
LogD (pH = 7.4)
-2.859133
Log P
-0.72880685
Molar Refractivity
25.4488
Polarizability
10.427217
Polar Surface Area
24.06
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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