Molecule

ID:69745

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂
Molecular Mass
139.5807
Exact Mass
139.04000625
Charge
0
InChI
InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1
InChIKey
IYUKFAFDFHZKPI-DFWYDOINSA-N
Canonic Smiles
COC(=O)[C@@H](N)C.Cl
Isomeric Smiles
C(=O)([C@@H](N)C)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2518427
LogD (pH = 7.4)
-0.70442027
Log P
-0.43281725
Molar Refractivity
25.2664
Polarizability
10.418138
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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