Molecule

ID:19974

General Information
Structure
Molecular Formula
C₁₂H₉ClFNO
Molecular Mass
237.6573632
Exact Mass
237.03566981
Charge
0
InChI
InChI=1S/C12H9ClFNO/c13-9-3-1-2-4-11(9)16-12-6-5-8(14)7-10(12)15/h1-7H,15H2
InChIKey
CWHCXQWFHFXDOZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1ccccc1Cl
Isomeric Smiles
O(c1c(cc(cc1)F)N)c1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
19.10143
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.391272
LogD (pH = 7.4)
3.3913527
Log P
3.3913536
Molar Refractivity
62.0204
Polarizability
23.363504
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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