Molecule

ID:131590

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO
Molecular Mass
123.5813
Exact Mass
123.04509163
Charge
0
InChI
InChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H
InChIKey
WGMHMVLZFAJNOT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=N)C.Cl
Isomeric Smiles
CCOC(=N)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6532801
LogD (pH = 7.4)
-0.052394234
Log P
0.25895116
Molar Refractivity
34.9023
Polarizability
9.519445
Polar Surface Area
33.08
Rotatable Bonds
2
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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