Molecule

ID:20135

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClFNO
Molecular Mass
239.6732432
Exact Mass
239.05131988
Charge
0
InChI
InChI=1S/C12H10FNO.ClH/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11;/h1-8H,14H2;1H
InChIKey
ZIAWJBMOYOXOLE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cccc(c1)F.Cl
Isomeric Smiles
c1c(Oc2ccc(N)cc2)cc(cc1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.770161
LogD (pH = 7.4)
2.7870889
Log P
2.787309
Molar Refractivity
57.2156
Polarizability
21.444431
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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