Molecule

ID:15030

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₃
Molecular Mass
117.10328
Exact Mass
117.04259309
Charge
0
InChI
InChI=1S/C4H7NO3/c1-5(2)3(6)4(7)8/h1-2H3,(H,7,8)
InChIKey
YKFGLGXRUVEMNF-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C(=O)O)C
Isomeric Smiles
C(=O)(C(=O)O)N(C)C
Calculated Properties
JChem
Acid pKa
2.973285
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1201305
LogD (pH = 7.4)
-4.1022353
Log P
-0.62334204
Molar Refractivity
26.0542
Polarizability
9.990525
Polar Surface Area
57.61
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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