Molecule

ID:55346

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂
Molecular Mass
139.5807
Exact Mass
139.04000625
Charge
0
InChI
InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
InChIKey
XPGRZDJXVKFLHQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN.Cl
Isomeric Smiles
NCCC(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7278106
LogD (pH = 7.4)
-2.630606
Log P
-0.76456875
Molar Refractivity
25.4719
Polarizability
10.418138
Polar Surface Area
52.32
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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