Molecule

ID:60934

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₃
Molecular Mass
158.1552
Exact Mass
158.06914219
Charge
0
InChI
InChI=1S/C6H10N2O3/c1-11-6(10)4-2-5(9)8-7-3-4/h4,7H,2-3H2,1H3,(H,8,9)
InChIKey
DLDWDQWZWAVSJB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CNNC(=O)C1
Isomeric Smiles
C1(C(=O)OC)CC(=O)NNC1
Calculated Properties
JChem
Acid pKa
11.032093
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3526154
LogD (pH = 7.4)
-1.3516438
Log P
-1.351539
Molar Refractivity
47.0278
Polarizability
14.573335
Polar Surface Area
67.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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