Molecule

ID:13782

General Information
Structure
MolImage
Molecular Formula
C₃H₈ClNO
Molecular Mass
109.55472
Exact Mass
109.02944156
Charge
0
InChI
InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
InChIKey
UQUPQEUNHVVNKW-UHFFFAOYSA-N
Canonic Smiles
OC1CNC1.Cl
Isomeric Smiles
N1CC(C1)O.Cl
Calculated Properties
JChem
Acid pKa
14.811825
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.0100617
LogD (pH = 7.4)
-2.5058627
Log P
-0.99473834
Molar Refractivity
18.6869
Polarizability
7.6825223
Polar Surface Area
32.26
Rotatable Bonds
0
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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