Molecule

ID:69785

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₂
Molecular Mass
181.66044
Exact Mass
181.08695644
Charge
0
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
InChIKey
HRTQWUHFSXVRPY-NUBCRITNSA-N
Canonic Smiles
COC(=O)[C@H](C(C)(C)C)N.Cl
Isomeric Smiles
C(=O)([C@@H](N)C(C)(C)C)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.85978395
LogD (pH = 7.4)
0.6190016
Log P
0.8326788
Molar Refractivity
38.6601
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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