Molecule

ID:61428

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO
Molecular Mass
214.2349432
Exact Mass
214.07939319
Charge
0
InChI
InChI=1S/C14H11FO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
YFYKGCQUWKAFLW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)Cc1ccccc1
Isomeric Smiles
C(=O)(Cc1ccccc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
15.356042
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.507935
LogD (pH = 7.4)
3.507935
Log P
3.507935
Molar Refractivity
61.3991
Polarizability
23.301977
Polar Surface Area
17.07
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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