Molecule

ID:29929

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKey
JHRDEHLFNLLCQS-UHFFFAOYSA-N
Canonic Smiles
ONC(=N)C(C)C
Isomeric Smiles
C(=N)(C(C)C)NO
Calculated Properties
JChem
Acid pKa
14.932075
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.9732744
LogD (pH = 7.4)
-0.7790899
Log P
0.34471357
Molar Refractivity
48.5188
Polarizability
10.6000805
Polar Surface Area
56.11
Rotatable Bonds
1
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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