Molecule

ID:99217

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₂
Molecular Mass
244.2609232
Exact Mass
244.08995788
Charge
0
InChI
InChI=1S/C15H13FO2/c16-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)15(17)18/h1-7,10H,8-9H2,(H,17,18)
InChIKey
TVIAPJHBTMIHJS-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)CCc1ccccc1C(=O)O
Isomeric Smiles
O=C(c1c(cccc1)CCc1cc(ccc1)F)O
Calculated Properties
JChem
Acid pKa
3.9051912
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7092013
LogD (pH = 7.4)
1.0989919
Log P
4.309893
Molar Refractivity
67.8688
Polarizability
25.43235
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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