Molecule

ID:70693

General Information
Structure
Molecular Formula
C₇H₃Cl₂FO₂
Molecular Mass
209.0019232
Exact Mass
207.94941292
Charge
0
InChI
InChI=1S/C7H3Cl2FO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChIKey
NMFMJSSFYLXQAO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(Cl)ccc(c1Cl)F
Isomeric Smiles
C(=O)(c1c(c(ccc1Cl)F)Cl)O
Calculated Properties
JChem
Acid pKa
1.7757124
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.33347565
LogD (pH = 7.4)
-0.5443715
Log P
2.98162
Molar Refractivity
43.1402
Polarizability
16.433792
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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