Molecule

ID:99099

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁FO₃
Molecular Mass
270.2551432
Exact Mass
270.06922243
Charge
0
InChI
InChI=1S/C16H11FO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3
InChIKey
FSVXPKJYQMILMB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2)F
Isomeric Smiles
O(c1ccc(cc1)c1cc(=O)c2c(ccc(c2)F)o1)C
Calculated Properties
JChem
Acid pKa
15.553563
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9524157
LogD (pH = 7.4)
2.9524157
Log P
2.9524157
Molar Refractivity
73.6508
Polarizability
27.449362
Polar Surface Area
35.53
Rotatable Bonds
2
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