Molecule

ID:20464

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO₂
Molecular Mass
233.2382832
Exact Mass
233.08520685
Charge
0
InChI
InChI=1S/C13H12FNO2/c1-16-10-3-5-11(6-4-10)17-13-7-2-9(15)8-12(13)14/h2-8H,15H2,1H3
InChIKey
PCZUUFORWUUPJP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccc(cc1F)N
Isomeric Smiles
c1(c(cc(N)cc1)F)Oc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6269343
LogD (pH = 7.4)
2.6296036
Log P
2.6296377
Molar Refractivity
63.6788
Polarizability
23.974457
Polar Surface Area
44.48
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