Molecule

ID:40239

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀ClNO
Molecular Mass
111.5706
Exact Mass
111.04509163
Charge
0
InChI
InChI=1S/C3H9NO.ClH/c1-3(2)5-4;/h3H,4H2,1-2H3;1H
InChIKey
FOFBPRRSRZLRBW-UHFFFAOYSA-N
Canonic Smiles
NOC(C)C.Cl
Isomeric Smiles
CC(C)ON.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.36881354
LogD (pH = 7.4)
0.410292
Log P
0.41084734
Molar Refractivity
21.4984
Polarizability
8.474427
Polar Surface Area
35.25
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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