Molecule

ID:112547

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₄
Molecular Mass
150.1332
Exact Mass
150.06405681
Charge
0
InChI
InChI=1S/C2H8N2.C2H2O4/c1-2-4-3;3-1(4)2(5)6/h4H,2-3H2,1H3;(H,3,4)(H,5,6)
InChIKey
DUMHBFMURBWDPC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.CCNN
Isomeric Smiles
CCNN.OC(=O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.3639908
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.101814
LogD (pH = 7.4)
-6.8848467
Log P
-0.26375157
Molar Refractivity
14.4386
Polarizability
5.8697963
Polar Surface Area
74.6
Rotatable Bonds
2
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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