Molecule

ID:18142

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₂
Molecular Mass
167.63386
Exact Mass
167.07130637
Charge
0
InChI
InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKey
KUGLDBMQKZTXPW-JEDNCBNOSA-N
Canonic Smiles
COC(=O)[C@H](C(C)C)N.Cl
Isomeric Smiles
C(=O)([C@@H](N)C(C)C)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4914988
LogD (pH = 7.4)
0.113204986
Log P
0.45467797
Molar Refractivity
34.262
Polarizability
14.082125
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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