Molecule
ID:110406
General Information
Molecular Formula
C₅H₁₀N₂O₂
Molecular Mass
130.1451
Exact Mass
130.07422757
Charge
0
InChI
InChI=1S/C5H10N2O2/c8-6-4-2-1-3-5-7-9/h4-5,8-9H,1-3H2
InChIKey
AVRPCDNPQAKCNP-UHFFFAOYSA-N
Canonic Smiles
O/N=C/CCC/C=N/O
Isomeric Smiles
O/N=C/CCC/C=N/O
Calculated Properties
JChem
Acid pKa
10.391755
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.25362635
LogD (pH = 7.4)
-0.2526487
Log P
-0.25218722
Molar Refractivity
33.9306
Polarizability
12.826304
Polar Surface Area
65.18
Rotatable Bonds
4
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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