Molecule

ID:37706

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₃
Molecular Mass
117.10328
Exact Mass
117.04259309
Charge
0
InChI
InChI=1S/C4H7NO3/c1-5-3(6)2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey
ANSCABGFLRQFHU-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CC(=O)O
Isomeric Smiles
C(C(=O)NC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8693395
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5496445
LogD (pH = 7.4)
-4.1435456
Log P
-0.9143838
Molar Refractivity
25.7067
Polarizability
9.990525
Polar Surface Area
66.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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