Molecule

ID:136292

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClO₂
Molecular Mass
122.55018
Exact Mass
122.01345714
Charge
0
InChI
InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKey
QQKDTTWZXHEGAQ-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)Cl
Isomeric Smiles
CCCOC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8086054
LogD (pH = 7.4)
1.8086054
Log P
1.8086054
Molar Refractivity
27.3984
Polarizability
10.845229
Polar Surface Area
26.3
Rotatable Bonds
3
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