Molecule

ID:116758

General Information
Structure
Molecular Formula
C₁₂H₉ClFNO
Molecular Mass
237.6573632
Exact Mass
237.03566981
Charge
0
InChI
InChI=1S/C12H9ClFNO/c13-12-11(6-3-7-15-12)16-8-9-4-1-2-5-10(9)14/h1-7H,8H2
InChIKey
HHMPIMNGDYUZFW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1COc1cccnc1Cl
Isomeric Smiles
c1(ncccc1OCc1c(F)cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2892823
LogD (pH = 7.4)
3.2892988
Log P
3.289299
Molar Refractivity
61.0594
Polarizability
23.175276
Polar Surface Area
22.12
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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