Molecule

ID:94452

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FO₂
Molecular Mass
218.2236432
Exact Mass
218.07430781
Charge
0
InChI
InChI=1S/C13H11FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-8,15H,9H2
InChIKey
UFXDRIJUGWOQTP-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(c(c1)Oc1ccccc1)F
Isomeric Smiles
O(c1cc(ccc1F)CO)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.863443
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.848885
LogD (pH = 7.4)
2.848885
Log P
2.848885
Molar Refractivity
59.3311
Polarizability
22.76383
Polar Surface Area
29.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation