Molecule

ID:21308

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO₃
Molecular Mass
239.2428632
Exact Mass
239.09577153
Charge
0
InChI
InChI=1S/C12H14FNO3/c1-16-12(15)11-6-10(7-14-11)17-9-4-2-3-8(13)5-9/h2-5,10-11,14H,6-7H2,1H3/t10-,11-/m0/s1
InChIKey
BFZJTRBZXQIPDE-QWRGUYRKSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1cccc(c1)F
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2cc(F)ccc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.32543814
LogD (pH = 7.4)
1.3247424
Log P
1.3779086
Molar Refractivity
58.6276
Polarizability
23.338152
Polar Surface Area
47.56
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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