Molecule

ID:40271

General Information
Structure
Molecular Formula
C₁₃H₉FO₂
Molecular Mass
216.2077632
Exact Mass
216.05865775
Charge
0
InChI
InChI=1S/C13H9FO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKey
RZJFZXRBXCJPTA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1ccc(cc1)F
Isomeric Smiles
c1(c(C=O)cccc1)Oc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3287373
LogD (pH = 7.4)
3.3287373
Log P
3.3287373
Molar Refractivity
59.0992
Polarizability
22.207115
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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