Molecule

ID:63598

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKey
IADUEWIQBXOCDZ-GSVOUGTGSA-N
Canonic Smiles
OC(=O)[C@H]1CCN1
Isomeric Smiles
[C@@H]1(C(=O)O)NCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-3.09
LogD (pH = 5.5)
-3.09
Log P
-3.09
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.76
Polar Surface Area
49.33
Polarizability
9.64
Molar Refractivity
23.42
LOG S
0.27
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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