Molecule
ID:64028
General Information
Molecular Formula
C₃H₆ClNO
Molecular Mass
107.53884
Exact Mass
107.0137915
Charge
0
InChI
InChI=1S/C3H5NO.ClH/c5-3-1-4-2-3;/h4H,1-2H2;1H
InChIKey
RFBXEQYQSIJAJL-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC1.Cl
Isomeric Smiles
C1(=O)CNC1.Cl
Calculated Properties
JChem
Acid pKa
16.893911
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.77736086
LogD (pH = 7.4)
-0.685251
Log P
-0.6839406
Molar Refractivity
17.77
Polarizability
7.1419125
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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