Molecule

ID:109271

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀ClNO
Molecular Mass
111.5706
Exact Mass
111.04509163
Charge
0
InChI
InChI=1S/C3H9NO.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H
InChIKey
RPDODBFXWRWFAH-UHFFFAOYSA-N
Canonic Smiles
CC(CO)N.Cl
Isomeric Smiles
Cl.CC(N)CO
Calculated Properties
JChem
Acid pKa
15.136744
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.908886
LogD (pH = 7.4)
-3.2041879
Log P
-0.89898586
Molar Refractivity
20.6299
Polarizability
8.402709
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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