Molecule

ID:93673

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClFNO₂
Molecular Mass
265.6674632
Exact Mass
265.03058443
Charge
0
InChI
InChI=1S/C13H9ClFNO2/c14-11-6-5-10(7-12(11)15)18-13-4-2-1-3-9(13)8-16-17/h1-8,17H
InChIKey
VGQLDYWJGIQJRP-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1ccccc1Oc1ccc(c(c1)F)Cl
Isomeric Smiles
O(c1c(cccc1)/C=N/O)c1ccc(c(c1)F)Cl
Calculated Properties
JChem
Acid pKa
6.3956866
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8905032
LogD (pH = 7.4)
2.9150026
Log P
3.9422617
Molar Refractivity
67.7257
Polarizability
25.50077
Polar Surface Area
41.82
Rotatable Bonds
3
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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