Molecule

ID:105201

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂ClNO
Molecular Mass
125.59718
Exact Mass
125.06074169
Charge
0
InChI
InChI=1S/C4H11NO.ClH/c1-4(2,5)3-6;/h6H,3,5H2,1-2H3;1H
InChIKey
PMZIUAOBHNJYQT-UHFFFAOYSA-N
Canonic Smiles
OCC(N)(C)C.Cl
Isomeric Smiles
Cl.CC(C)(N)CO
Calculated Properties
JChem
Acid pKa
14.802175
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6381552
LogD (pH = 7.4)
-3.1101952
Log P
-0.61840916
Molar Refractivity
25.2681
Polarizability
10.242338
Polar Surface Area
46.25
Rotatable Bonds
1
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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