Molecule

ID:121750

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₄
Molecular Mass
148.11732
Exact Mass
148.04840675
Charge
0
InChI
InChI=1S/C4H8N2O4/c5-6(1-3(7)8)2-4(9)10/h1-2,5H2,(H,7,8)(H,9,10)
InChIKey
QQQMJWSOHKTWDZ-UHFFFAOYSA-N
Canonic Smiles
NN(CC(=O)O)CC(=O)O
Isomeric Smiles
C(N(CC(=O)O)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3692942
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-5.5370092
LogD (pH = 7.4)
-8.150798
Log P
-4.3751693
Molar Refractivity
31.3467
Polarizability
12.237985
Polar Surface Area
103.86
Rotatable Bonds
4
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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