Molecule

ID:90063

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₂
Molecular Mass
181.66044
Exact Mass
181.08695644
Charge
0
InChI
InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1
InChIKey
DODCBMODXGJOKD-FYZOBXCZSA-N
Canonic Smiles
COC(=O)[C@@H](CC(C)C)N.Cl
Isomeric Smiles
N[C@@H](C(=O)OC)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0448902
LogD (pH = 7.4)
0.5252041
Log P
0.8212929
Molar Refractivity
38.94
Polarizability
15.9186325
Polar Surface Area
52.32
Rotatable Bonds
4
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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