Molecule

ID:7140

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₄O
Molecular Mass
214.5447328
Exact Mass
213.98085528
Charge
0
InChI
InChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H
InChIKey
OKLHLYVTNGBKCI-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(cc(c1F)Cl)C(F)(F)F
Isomeric Smiles
c1(cc(c(c(c1)O)F)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
7.368518
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2884862
LogD (pH = 7.4)
2.9811456
Log P
3.2942755
Molar Refractivity
39.0338
Polarizability
14.190415
Polar Surface Area
20.23
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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