Molecule

ID:97153

General Information
Structure
Molecular Formula
C₁₃H₁₁FO
Molecular Mass
202.2242432
Exact Mass
202.07939319
Charge
0
InChI
InChI=1S/C13H11FO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
GOJNJAKUQZLPPP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)F)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6827495
LogD (pH = 7.4)
3.6827495
Log P
3.6827495
Molar Refractivity
57.3502
Polarizability
22.08293
Polar Surface Area
9.23
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