Molecule

ID:53196

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂
Molecular Mass
139.5807
Exact Mass
139.04000625
Charge
0
InChI
InChI=1S/C4H9NO2.ClH/c6-4-3-5-1-2-7-4;/h4-6H,1-3H2;1H
InChIKey
BNTZPYZTYZBPSC-UHFFFAOYSA-N
Canonic Smiles
OC1CNCCO1.Cl
Isomeric Smiles
N1CC(OCC1)O.Cl
Calculated Properties
JChem
Acid pKa
12.117909
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.0305243
LogD (pH = 7.4)
-1.3204792
Log P
-0.7756029
Molar Refractivity
24.7978
Polarizability
10.246324
Polar Surface Area
41.49
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
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References
Bioactivity
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