Molecule

ID:100719

General Information
Structure
Molecular Formula
C₄H₄ClFO₂
Molecular Mass
138.5247632
Exact Mass
137.98838527
Charge
0
InChI
InChI=1S/C4H4ClFO2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey
FOAOSDYEDASXTN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC1(F)Cl
Isomeric Smiles
ClC1(F)CC1C(=O)O
Calculated Properties
JChem
Acid pKa
3.2861052
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3346901
LogD (pH = 7.4)
-2.567664
Log P
0.8613428
Molar Refractivity
25.2928
Polarizability
9.832064
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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