Molecule

ID:102561

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO₂
Molecular Mass
195.68702
Exact Mass
195.1026065
Charge
0
InChI
InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1
InChIKey
NOUDPBCEONUCOV-FJXQXJEOSA-N
Canonic Smiles
CCOC(=O)[C@H](CC(C)C)N.Cl
Isomeric Smiles
Cl.CCOC(=O)[C@@H](N)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6877783
LogD (pH = 7.4)
0.8821752
Log P
1.1781008
Molar Refractivity
43.6886
Polarizability
17.757055
Polar Surface Area
52.32
Rotatable Bonds
5
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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