Molecule

ID:72780

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₂
Molecular Mass
244.2609232
Exact Mass
244.08995788
Charge
0
InChI
InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKey
SYTBZMRGLBWNTM-SNVBAGLBSA-N
Canonic Smiles
OC(=O)[C@@H](c1ccc(c(c1)F)c1ccccc1)C
Isomeric Smiles
c1c(c(cc(c1)[C@H](C(=O)O)C)F)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.4217577
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8323648
LogD (pH = 7.4)
1.0727731
Log P
3.9439077
Molar Refractivity
67.2927
Polarizability
26.955172
Polar Surface Area
37.3
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
No Data Available
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Molecule Details
References
Bioactivity
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