Molecule

ID:102729

General Information
Structure
MolImage
Molecular Formula
C₃H₈ClNO₂
Molecular Mass
125.55412
Exact Mass
125.02435618
Charge
0
InChI
InChI=1S/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);1H
InChIKey
WVKIFIROCHIWAY-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)O.Cl
Isomeric Smiles
Cl.CNCC(=O)O
Calculated Properties
JChem
Acid pKa
2.0566752
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.1863375
LogD (pH = 7.4)
-3.1866522
Log P
-3.186261
Molar Refractivity
20.778
Polarizability
8.358352
Polar Surface Area
49.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation