Molecule

ID:112627

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₃
Molecular Mass
105.09258
Exact Mass
105.04259309
Charge
0
InChI
InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)
InChIKey
BMYNFMYTOJXKLE-UHFFFAOYSA-N
Canonic Smiles
NCC(C(=O)O)O
Isomeric Smiles
NCC(O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.193472
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.8899539
LogD (pH = 7.4)
-3.8903162
Log P
-3.8887994
Molar Refractivity
22.041
Polarizability
9.0643015
Polar Surface Area
83.55
Rotatable Bonds
2
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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