Molecule

ID:69394

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNO₂
Molecular Mass
137.56482
Exact Mass
137.02435618
Charge
0
InChI
InChI=1S/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKey
XBKCXPRYTLOQKS-DFWYDOINSA-N
Canonic Smiles
O=C1OCC[C@@H]1N.Cl
Isomeric Smiles
C1(=O)[C@@H](N)CCO1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7108617
LogD (pH = 7.4)
-1.1681297
Log P
-0.9011904
Molar Refractivity
23.4142
Polarizability
9.7096
Polar Surface Area
52.32
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation