Molecule

ID:73991

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₂
Molecular Mass
151.5914
Exact Mass
151.04000625
Charge
0
InChI
InChI=1S/C5H9NO2.ClH/c1-8-4(7)5(6)2-3-5;/h2-3,6H2,1H3;1H
InChIKey
CHSDCWKLSHPKFY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(N)CC1.Cl
Isomeric Smiles
NC1(CC1)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0238914
LogD (pH = 7.4)
-0.5315053
Log P
-0.30786982
Molar Refractivity
28.0235
Polarizability
11.534429
Polar Surface Area
52.32
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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