Molecule

ID:46

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₂
Molecular Mass
89.09318
Exact Mass
89.04767847
Charge
0
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey
QNAYBMKLOCPYGJ-REOHCLBHSA-N
Canonic Smiles
C[C@@H](C(=O)O)N
Isomeric Smiles
OC(=O)[C@@H](N)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.84
LogD (pH = 5.5)
-2.84
Log P
-2.84
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.47
Polar Surface Area
63.32
Polarizability
8.49
Molar Refractivity
20.50
LOG S
0.28
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
No Data Available
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Molecule Details
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References
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Bioactivity
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