Molecule

ID:134707

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₃
Molecular Mass
168.58345484
Exact Mass
168.0382757
Charge
0
InChI
InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H/i1+1;
InChIKey
ZLHFONARZHCSET-YTBWXGASSA-N
Canonic Smiles
NCC(=O)[13CH2]CC(=O)O.Cl
Isomeric Smiles
C([13CH2]C(=O)CN)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.0531516
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.2572048
LogD (pH = 7.4)
-3.3702924
Log P
-3.2526455
Molar Refractivity
30.4478
Polarizability
12.14889
Polar Surface Area
80.39
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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