Molecule

ID:95347

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₃FN₂O₂
Molecular Mass
361.5829232
Exact Mass
359.96353877
Charge
0
InChI
InChI=1S/C14H8Cl3FN2O2/c15-12(13(16)17)14(21)20-9-3-6-11(19-7-9)22-10-4-1-8(18)2-5-10/h1-7H,(H,20,21)
InChIKey
VCCKAMIEVUYFHS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(cn1)NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(c1ccc(nc1)Oc1ccc(cc1)F)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.926152
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.130289
LogD (pH = 7.4)
4.1302915
Log P
4.1303043
Molar Refractivity
95.3734
Polarizability
31.663538
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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