Molecule

ID:90191

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)4-5;/h3-5H,1-2H3;1H
InChIKey
BYXUIKZQGOPKFR-UHFFFAOYSA-N
Canonic Smiles
ONC(C)C.Cl
Isomeric Smiles
N(O)C(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.646565
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.11585049
LogD (pH = 7.4)
0.254475
Log P
0.25656268
Molar Refractivity
31.3436
Polarizability
8.402709
Polar Surface Area
32.26
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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