Molecule

ID:76242

General Information
Structure
MolImage
Molecular Formula
CH₆ClNO
Molecular Mass
83.51744
Exact Mass
83.0137915
Charge
0
InChI
InChI=1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H
InChIKey
RGZRSLKIOCHTSI-UHFFFAOYSA-N
Canonic Smiles
CNO.Cl
Isomeric Smiles
N(C)O.Cl
Calculated Properties
JChem
Acid pKa
16.820272
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.61248004
LogD (pH = 7.4)
-0.51816565
Log P
-0.5168203
Molar Refractivity
22.1762
Polarizability
4.7371387
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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