Molecule

ID:132024

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆ClNO
Molecular Mass
153.65034
Exact Mass
153.09204182
Charge
0
InChI
InChI=1S/C6H15NO.ClH/c1-3-5(2)6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H/t5-,6+;/m0./s1
InChIKey
RAEHCGJWYOKYTE-RIHPBJNCSA-N
Canonic Smiles
CC[C@@H]([C@@H](CO)N)C.Cl
Isomeric Smiles
CC[C@H](C)[C@@H](CO)N.Cl
Calculated Properties
JChem
Acid pKa
15.119383
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.581455
LogD (pH = 7.4)
-1.9505256
Log P
0.43307802
Molar Refractivity
34.2265
Polarizability
13.926987
Polar Surface Area
46.25
Rotatable Bonds
3
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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