Molecule

ID:8577

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClFO₂
Molecular Mass
202.6100232
Exact Mass
202.0196854
Charge
0
InChI
InChI=1S/C9H8ClFO2/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
MWMVSSKZRABAIJ-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)OCc1ccccc1)Cl
Isomeric Smiles
O=C(OCc1ccccc1)C(F)Cl
Calculated Properties
JChem
Acid pKa
18.93927
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4951227
LogD (pH = 7.4)
2.4951227
Log P
2.4951227
Molar Refractivity
47.0827
Polarizability
18.253117
Polar Surface Area
26.3
Rotatable Bonds
4
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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