Molecule

ID:131788

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O₂
Molecular Mass
168.62192
Exact Mass
168.06655535
Charge
0
InChI
InChI=1S/C5H12N2O2.ClH/c6-3-4(7)1-2-5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H
InChIKey
HKKKBYDKDOFXPJ-UHFFFAOYSA-N
Canonic Smiles
NC(CN)CCC(=O)O.Cl
Isomeric Smiles
C(CC(=O)O)C(CN)N.Cl
Calculated Properties
JChem
Acid pKa
4.4876995
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.3024426
LogD (pH = 7.4)
-3.818467
Log P
-3.6809013
Molar Refractivity
33.0778
Polarizability
13.533871
Polar Surface Area
89.34
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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