Molecule

ID:84501

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c1-9-6(10-2)5-3-4-7-8-5/h3-4,6H,1-2H3,(H,7,8)
InChIKey
ZAZJHNVEFWBJFV-UHFFFAOYSA-N
Canonic Smiles
COC(c1cc[nH]n1)OC
Isomeric Smiles
n1c(cc[nH]1)C(OC)OC
Calculated Properties
JChem
Acid pKa
12.9459095
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.35201
LogD (pH = 7.4)
0.35210776
Log P
0.35211024
Molar Refractivity
36.9711
Polarizability
14.079096
Polar Surface Area
47.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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