Molecule

ID:70114

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₄
Molecular Mass
183.5902
Exact Mass
183.02983549
Charge
0
InChI
InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m0./s1
InChIKey
QRBMPUYOGOCYDJ-DFWYDOINSA-N
Canonic Smiles
COC(=O)C[C@@H](C(=O)O)N.Cl
Isomeric Smiles
C(=O)([C@H](CC(=O)OC)N)O.Cl
Calculated Properties
JChem
Acid pKa
1.870612
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.3362358
LogD (pH = 7.4)
-3.360935
Log P
-3.3361957
Molar Refractivity
31.3018
Polarizability
12.917366
Polar Surface Area
89.62
Rotatable Bonds
4
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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