Molecule
ID:38297
General Information
Molecular Formula
C₄H₉NO₃
Molecular Mass
119.11916
Exact Mass
119.05824315
Charge
0
InChI
InChI=1S/C4H9NO3/c1-7-4(8-2)3(5)6/h4H,1-2H3,(H2,5,6)
InChIKey
NXDRRCFVRXDPOV-UHFFFAOYSA-N
Canonic Smiles
COC(C(=O)N)OC
Isomeric Smiles
O(C(C(=O)N)OC)C
Calculated Properties
JChem
Acid pKa
14.796661
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.85002303
LogD (pH = 7.4)
-0.85002303
Log P
-0.85002303
Molar Refractivity
26.8689
Polarizability
10.810944
Polar Surface Area
61.55
Rotatable Bonds
3
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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