Molecule

ID:102417

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂
Molecular Mass
139.5807
Exact Mass
139.04000625
Charge
0
InChI
InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
InChIKey
FKASAVXZZLJTNX-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)O)C.Cl
Isomeric Smiles
Cl.CN(C)CC(=O)O
Calculated Properties
JChem
Acid pKa
1.8808128
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.060791
LogD (pH = 7.4)
-3.0625443
Log P
-3.0607824
Molar Refractivity
26.0727
Polarizability
10.177998
Polar Surface Area
40.54
Rotatable Bonds
2
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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