Molecule
ID:95690
General Information
Molecular Formula
C₁₇H₁₁ClF₂N₂O₃
Molecular Mass
364.7306464
Exact Mass
364.04262634
Charge
0
InChI
InChI=1S/C17H11ClF2N2O3/c18-12(9-11-5-2-1-3-6-11)10-21-25-17(24)22-16(23)15-13(19)7-4-8-14(15)20/h1-10H,(H,22,23,24)
InChIKey
CEKDMJXFFHAJQZ-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1c(F)cccc1F)O/N=C/C(=C/c1ccccc1)/Cl
Isomeric Smiles
N(C(=O)c1c(cccc1F)F)C(=O)O/N=C/C(=C/c1ccccc1)/Cl
Calculated Properties
JChem
Acid pKa
3.4606965
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.621684
LogD (pH = 7.4)
2.374791
Log P
4.313436
Molar Refractivity
89.2449
Polarizability
32.795525
Polar Surface Area
67.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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