Molecule

ID:95372

General Information
Structure
Molecular Formula
C₁₄H₈Cl₃FN₂O₂
Molecular Mass
361.5829232
Exact Mass
359.96353877
Charge
0
InChI
InChI=1S/C14H8Cl3FN2O2/c15-11(12(16)17)13(21)20-10-2-1-7-19-14(10)22-9-5-3-8(18)4-6-9/h1-7H,(H,20,21)
InChIKey
WOUDAEMCYBFHMC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ncccc1NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(c1c(nccc1)Oc1ccc(cc1)F)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.711578
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1302714
LogD (pH = 7.4)
4.1301026
Log P
4.1303043
Molar Refractivity
95.3734
Polarizability
31.664942
Polar Surface Area
51.22
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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