Molecule

ID:69427

General Information
Structure
MolImage
Molecular Formula
C₃H₈ClNO
Molecular Mass
109.55472
Exact Mass
109.02944156
Charge
0
InChI
InChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2,4H2,1H3;1H
InChIKey
RUCLDQBBIJKQHO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CN.Cl
Isomeric Smiles
CC(=O)CN.Cl
Calculated Properties
JChem
Acid pKa
17.29553
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0827453
LogD (pH = 7.4)
-1.3939892
Log P
-0.81785005
Molar Refractivity
19.5545
Polarizability
7.8588223
Polar Surface Area
43.09
Rotatable Bonds
1
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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