Molecule

ID:99864

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClFO₂
Molecular Mass
230.6631832
Exact Mass
230.05098552
Charge
0
InChI
InChI=1S/C11H12ClFO2/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3
InChIKey
WVGOSBIYTOJPTI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)C(=O)OC(C)(C)C
Isomeric Smiles
O(C(C)(C)C)C(=O)c1ccc(cc1F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.777429
LogD (pH = 7.4)
3.777429
Log P
3.777429
Molar Refractivity
56.9101
Polarizability
21.883816
Polar Surface Area
26.3
Rotatable Bonds
3
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