Molecule

ID:104617

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀ClNO₂
Molecular Mass
127.57
Exact Mass
127.04000625
Charge
0
InChI
InChI=1S/C3H9NO2.ClH/c4-3(1-5)2-6;/h3,5-6H,1-2,4H2;1H
InChIKey
VDGBLRKKPTUYNW-UHFFFAOYSA-N
Canonic Smiles
OCC(CO)N.Cl
Isomeric Smiles
Cl.NC(CO)CO
Calculated Properties
JChem
Acid pKa
14.752636
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.8994164
LogD (pH = 7.4)
-3.755068
Log P
-1.9458958
Molar Refractivity
22.1736
Polarizability
9.061876
Polar Surface Area
66.48
Rotatable Bonds
2
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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