Molecule

ID:90374

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₂
Molecular Mass
181.66044
Exact Mass
181.08695644
Charge
0
InChI
InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H
InChIKey
WIQIWPPQGWGVHD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)C)OC(C)(C)C.Cl
Isomeric Smiles
NC(C)C(=O)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1969602
LogD (pH = 7.4)
0.35000235
Log P
0.6211424
Molar Refractivity
39.072
Polarizability
15.9186325
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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