Molecule

ID:7645

General Information
Structure
Molecular Formula
C₁₀H₆ClFO₂
Molecular Mass
212.6048432
Exact Mass
212.00403533
Charge
0
InChI
InChI=1S/C10H6ClFO2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-4H,5H2
InChIKey
RBLLNXBYFXPIPW-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2C(=C(COc2cc1)C=O)Cl
Isomeric Smiles
c1(ccc2c(c1)C(=C(CO2)C=O)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7499201
LogD (pH = 7.4)
1.7499201
Log P
1.7499201
Molar Refractivity
51.4008
Polarizability
19.138258
Polar Surface Area
26.3
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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