Molecule

ID:65910

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNO₂
Molecular Mass
137.56482
Exact Mass
137.02435618
Charge
0
InChI
InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3
InChIKey
SCOJKGRNQDKFRP-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)CCl)OC
Isomeric Smiles
C(C(=O)N(C)OC)Cl
Calculated Properties
JChem
Acid pKa
18.204794
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.10551054
LogD (pH = 7.4)
0.10551054
Log P
0.10551054
Molar Refractivity
30.3627
Polarizability
11.972607
Polar Surface Area
29.54
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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