Molecule

ID:18340

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₂
Molecular Mass
180.1756632
Exact Mass
180.05865775
Charge
0
InChI
InChI=1S/C10H9FO2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6H,4-5H2,(H,12,13)
InChIKey
OKOPJQWSINWAMU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C1(CC1)C(=O)O
Isomeric Smiles
C1(CC1)(C(=O)O)c1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
3.805202
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6917994
LogD (pH = 7.4)
-0.87101513
Log P
2.3889706
Molar Refractivity
44.8553
Polarizability
17.187386
Polar Surface Area
37.3
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