Molecule

ID:37260

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClFO₄
Molecular Mass
310.7047832
Exact Mass
310.04081476
Charge
0
InChI
InChI=1S/C15H12ClFO4/c1-20-13-4-2-3-11(15(18)19)14(13)21-8-9-5-6-10(17)7-12(9)16/h2-7H,8H2,1H3,(H,18,19)
InChIKey
DHOWMOKYOOAHQM-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccc(cc1Cl)F)C(=O)O
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1ccc(cc1Cl)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.47595
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7719218
LogD (pH = 7.4)
0.4042765
Log P
3.786706
Molar Refractivity
75.8744
Polarizability
28.936583
Polar Surface Area
55.76
Rotatable Bonds
5
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