Molecule

ID:69286

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)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKey
YAQKNCSWDMGPOY-JEDNCBNOSA-N
Canonic Smiles
CC(OC(=O)[C@@H](N)C)C.Cl
Isomeric Smiles
C(=O)([C@H](C)N)OC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4778464
LogD (pH = 7.4)
0.06927047
Log P
0.3405657
Molar Refractivity
34.4338
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
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Molecule Details
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References
Bioactivity
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