Molecule

ID:30655

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO₂
Molecular Mass
230.2343432
Exact Mass
230.07430781
Charge
0
InChI
InChI=1S/C14H11FO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKey
PKCHPRKLZKXQHF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)c1ccc(cc1)F
Isomeric Smiles
C(=O)(C(c1ccc(cc1)F)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
4.058032
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9766345
LogD (pH = 7.4)
0.3056421
Log P
3.4304862
Molar Refractivity
62.2515
Polarizability
23.767153
Polar Surface Area
37.3
Rotatable Bonds
3
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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