Molecule

ID:135239

General Information
Structure
MolImage
Molecular Formula
C₃H₅ClO
Molecular Mass
95.50216451
Exact Mass
95.01295697
Charge
0
InChI
InChI=1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3/i1+1,2+1,3+1
InChIKey
RZWZRACFZGVKFM-VMIGTVKRSA-N
Canonic Smiles
[13CH3][13CH2][13C](=O)Cl
Isomeric Smiles
[13CH3][13CH2][13C](=O)Cl
Calculated Properties
JChem
Acid pKa
19.905334
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0105197
LogD (pH = 7.4)
1.0105197
Log P
1.0105197
Molar Refractivity
21.1291
Polarizability
8.256541
Polar Surface Area
17.07
Rotatable Bonds
1
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