Molecule

ID:63642

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄FNO₃
Molecular Mass
299.2963632
Exact Mass
299.09577153
Charge
0
InChI
InChI=1S/C17H14FNO3/c1-21-15-8-7-12-14(20)9-13(19-16(12)17(15)22-2)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKey
LTKNZGFVIZREDJ-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc2c1[nH]c(cc2=O)c1ccc(cc1)F
Isomeric Smiles
[nH]1c2c(c(OC)ccc2c(=O)cc1c1ccc(F)cc1)OC
Calculated Properties
JChem
Acid pKa
9.964425
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.0751798
LogD (pH = 7.4)
3.0740705
Log P
3.075194
Molar Refractivity
83.8446
Polarizability
30.445065
Polar Surface Area
47.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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