Molecule

ID:60253

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂
Molecular Mass
103.11976
Exact Mass
103.06332853
Charge
0
InChI
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey
QWCKQJZIFLGMSD-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)N
Isomeric Smiles
C(=O)(C(N)CC)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.32
LogD (pH = 5.5)
-2.32
Log P
-2.32
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.62
Polar Surface Area
63.32
Polarizability
10.47
Molar Refractivity
25.02
LOG S
-0.14
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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