Molecule

ID:65142

General Information
Structure
Molecular Formula
C₁₃H₁₄FNO₂
Molecular Mass
235.2541632
Exact Mass
235.10085691
Charge
0
InChI
InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3
InChIKey
JYJYZNQHVVDOIE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C
Isomeric Smiles
c1c(cc2n(ccc2c1)C(=O)OC(C)(C)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2077696
LogD (pH = 7.4)
3.2077696
Log P
3.2077696
Molar Refractivity
62.0604
Polarizability
25.133575
Polar Surface Area
31.23
Rotatable Bonds
2
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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