Molecule

ID:102138

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
146.1445
Exact Mass
146.06914219
Charge
0
InChI
InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
InChIKey
CXISPYVYMQWFLE-UHFFFAOYSA-N
Canonic Smiles
CC(/C(=N/CC(=O)O)/O)N
Isomeric Smiles
CC(N)/C(=N/CC(=O)O)/O
Calculated Properties
JChem
Acid pKa
3.959323
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.499682
LogD (pH = 7.4)
-5.1481657
Log P
-3.2991693
Molar Refractivity
33.8225
Polarizability
13.277963
Polar Surface Area
95.91
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
References
Bioactivity
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