Molecule

ID:18218

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO₃
Molecular Mass
198.1909432
Exact Mass
198.06922243
Charge
0
InChI
InChI=1S/C10H11FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4,9,12H,5-6H2,(H,13,14)
InChIKey
UOBOSSRBVANWMD-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)F)CCC(=O)O
Isomeric Smiles
C(=O)(CCC(c1ccc(cc1)F)O)O
Calculated Properties
JChem
Acid pKa
4.0063577
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.09135652
LogD (pH = 7.4)
-1.7433897
Log P
1.4120224
Molar Refractivity
48.2995
Polarizability
18.571848
Polar Surface Area
57.53
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