Molecule

ID:21310

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClFNO₃
Molecular Mass
273.6879232
Exact Mass
273.05679918
Charge
0
InChI
InChI=1S/C12H13ClFNO3/c1-17-12(16)11-5-8(6-15-11)18-7-2-3-10(14)9(13)4-7/h2-4,8,11,15H,5-6H2,1H3/t8-,11-/m0/s1
InChIKey
OYYFRDLFVODIPS-KWQFWETISA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(c(c1)Cl)F
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2cc(c(cc2)F)Cl)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.917704
LogD (pH = 7.4)
1.9272711
Log P
1.9819533
Molar Refractivity
63.4324
Polarizability
25.30695
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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