Molecule

ID:19611

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClFNO
Molecular Mass
237.6573632
Exact Mass
237.03566981
Charge
0
InChI
InChI=1S/C12H9ClFNO/c13-10-2-1-3-11(15)12(10)16-9-6-4-8(14)5-7-9/h1-7H,15H2
InChIKey
GUAJNBQLVDBZSE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1c(N)cccc1Cl
Isomeric Smiles
c1(Oc2ccc(F)cc2)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.968493
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3911188
LogD (pH = 7.4)
3.3913507
Log P
3.3913536
Molar Refractivity
62.0204
Polarizability
23.364109
Polar Surface Area
35.25
Rotatable Bonds
2
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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