Molecule

ID:97042

General Information
Structure
Molecular Formula
C₁₄H₁₁FO₂
Molecular Mass
230.2343432
Exact Mass
230.07430781
Charge
0
InChI
InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChIKey
VWGWRNBIAWTWIB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1ccc(cc1)F
Isomeric Smiles
O=C(c1ccc(cc1)F)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4176295
LogD (pH = 7.4)
3.4176295
Log P
3.4176295
Molar Refractivity
63.3131
Polarizability
24.143595
Polar Surface Area
26.3
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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