Molecule

ID:85856

General Information
Structure
MolImage
Molecular Formula
C₃H₅ClO₂
Molecular Mass
108.5236
Exact Mass
107.99780708
Charge
0
InChI
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKey
GAWAYYRQGQZKCR-REOHCLBHSA-N
Canonic Smiles
C[C@@H](C(=O)O)Cl
Isomeric Smiles
OC(=O)[C@H](C)Cl
Calculated Properties
JChem
Acid pKa
3.4175816
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1879898
LogD (pH = 7.4)
-2.515642
Log P
0.8827623
Molar Refractivity
21.8908
Polarizability
8.7767315
Polar Surface Area
37.3
Rotatable Bonds
1
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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