Molecule

ID:7209

General Information
Structure
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChIKey
QXOBYWRKNIDHJG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)F
Isomeric Smiles
c1c(cc(c(c1)OC)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4716978
LogD (pH = 7.4)
2.4716978
Log P
2.4716978
Molar Refractivity
37.7788
Polarizability
14.2754345
Polar Surface Area
9.23
Rotatable Bonds
1
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