Molecule

ID:54877

General Information
Structure
Molecular Formula
C₁₅H₁₂FNO₃
Molecular Mass
273.2590832
Exact Mass
273.08012147
Charge
0
InChI
InChI=1S/C15H12FNO3/c1-20-15(19)10-6-7-13(12(16)8-10)17-9-11-4-2-3-5-14(11)18/h2-9,18H,1H3/b17-9+
InChIKey
YFWMPZIAIBOEFT-RQZCQDPDSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)F)/N=C/c1ccccc1O
Isomeric Smiles
N(=C\c1c(O)cccc1)/c1c(cc(C(=O)OC)cc1)F
Calculated Properties
JChem
Acid pKa
8.827798
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6899173
LogD (pH = 7.4)
3.674303
Log P
3.6901202
Molar Refractivity
75.6102
Polarizability
27.174547
Polar Surface Area
58.89
Rotatable Bonds
4
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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